Wei Luo

Response of ⁹⁰Sr precipitated into Sr₅(PO₄)₃OH and SrHPO₄ by Wet-Chemistry: New insights into the phase evolution during grain growth

Yin, Dongping; Zheng, Qiuyu; Tian, Qiang; Zhao, Xiaofeng et al.

Ingår i Journal of Alloys and Compounds, 2025

• DOI för Response of ⁹⁰Sr precipitated into Sr₅(PO₄)₃OH and SrHPO₄ by Wet-Chemistry: New insights into the phase evolution during grain growth

Superconductivity of Sc(BN)₃ under pressure

Tunghathaithip, Naraphorn; Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Luo, Wei et al.

Ingår i Journal of Applied Physics, 2025

• DOI för Superconductivity of Sc(BN)₃ under pressure
• Ladda ner fulltext (pdf) av Superconductivity of Sc(BN)₃ under pressure

Design flexible LuH₃ monolayer as an efficient water-splitting photocatalyst across abroad light spectrum

Yang, Xiaoyong; Ahuja, Rajeev; Luo, Wei

Ingår i Nano Energy, 2025

• DOI för Design flexible LuH₃ monolayer as an efficient water-splitting photocatalyst across abroad light spectrum

Exploring Hydrogen-Bearing Metallic Alloys: Phonon-Mediated Superconductivity in (Zr,Hf)H₃ under High Pressure

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Kotmool, Komsilp; Luo, Wei et al.

Ingår i The Journal of Physical Chemistry C, s. 571-579, 2024

• DOI för Exploring Hydrogen-Bearing Metallic Alloys: Phonon-Mediated Superconductivity in (Zr,Hf)H₃ under High Pressure
• Ladda ner fulltext (pdf) av Exploring Hydrogen-Bearing Metallic Alloys: Phonon-Mediated Superconductivity in (Zr,Hf)H₃ under High Pressure

Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride

Tsuppayakorn-aek, Prutthipong; Luo, Wei; Bovornratanaraks, Thiti

Ingår i The Journal of Physical Chemistry C, s. 13968-13978, 2024

• DOI för Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride
• Ladda ner fulltext (pdf) av Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride

Response of ⁹⁰Sr precipitated into Sr₅(PO₄)₃OH and SrHPO₄ by Wet-Chemistry: New insights into the phase evolution during grain growth

Yin, Dongping; Zheng, Qiuyu; Tian, Qiang; Zhao, Xiaofeng et al.

Ingår i Journal of Alloys and Compounds, 2025

• DOI för Response of ⁹⁰Sr precipitated into Sr₅(PO₄)₃OH and SrHPO₄ by Wet-Chemistry: New insights into the phase evolution during grain growth

Superconductivity of Sc(BN)₃ under pressure

Tunghathaithip, Naraphorn; Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Luo, Wei et al.

Ingår i Journal of Applied Physics, 2025

• DOI för Superconductivity of Sc(BN)₃ under pressure
• Ladda ner fulltext (pdf) av Superconductivity of Sc(BN)₃ under pressure

Design flexible LuH₃ monolayer as an efficient water-splitting photocatalyst across abroad light spectrum

Yang, Xiaoyong; Ahuja, Rajeev; Luo, Wei

Ingår i Nano Energy, 2025

• DOI för Design flexible LuH₃ monolayer as an efficient water-splitting photocatalyst across abroad light spectrum

Exploring Hydrogen-Bearing Metallic Alloys: Phonon-Mediated Superconductivity in (Zr,Hf)H₃ under High Pressure

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Kotmool, Komsilp; Luo, Wei et al.

Ingår i The Journal of Physical Chemistry C, s. 571-579, 2024

• DOI för Exploring Hydrogen-Bearing Metallic Alloys: Phonon-Mediated Superconductivity in (Zr,Hf)H₃ under High Pressure
• Ladda ner fulltext (pdf) av Exploring Hydrogen-Bearing Metallic Alloys: Phonon-Mediated Superconductivity in (Zr,Hf)H₃ under High Pressure

Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride

Tsuppayakorn-aek, Prutthipong; Luo, Wei; Bovornratanaraks, Thiti

Ingår i The Journal of Physical Chemistry C, s. 13968-13978, 2024

• DOI för Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride
• Ladda ner fulltext (pdf) av Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride

Strong electron-phonon coupling and predicted high superconducting transition temperature of MXenes revealed in 2H-Mo₂N under biaxial stress

Kotmool, Komsilp; Tsuppayakorn-aek, Prutthipong; Bovornratanaraks, Thiti; Kaewmaraya, Thanayut et al.

Ingår i Physica. B, Condensed matter, 2024

• DOI för Strong electron-phonon coupling and predicted high superconducting transition temperature of MXenes revealed in 2H-Mo₂N under biaxial stress

Stability, thermodynamic, electronic, and thermoelectric properties of triclinic Cu₂Se structure

Kotmool, Komsilp; Khammuang, Satchakorn; Rudradawong, Chalermpol; Thatsami, Niphat et al.

Ingår i Ceramics International, s. 19060-19066, 2024

• DOI för Stability, thermodynamic, electronic, and thermoelectric properties of triclinic Cu₂Se structure

Exploring A-Site Cation Variations in Dion-Jacobson Two-Dimensional Halide Perovskites for Enhanced Solar Cell Applications: A Density Functional Theory Study

Kagdada, Hardik L.; Roondhe, Basant; Roondhe, Vaishali; Dabhi, Shweta D. et al.

Ingår i Advanced Energy & Sustainability Research, 2024

• DOI för Exploring A-Site Cation Variations in Dion-Jacobson Two-Dimensional Halide Perovskites for Enhanced Solar Cell Applications: A Density Functional Theory Study
• Ladda ner fulltext (pdf) av Exploring A-Site Cation Variations in Dion-Jacobson Two-Dimensional Halide Perovskites for Enhanced Solar Cell Applications: A Density Functional Theory Study

Hydrogenation-induced superconducting properties of MgB2 2 investigated using Migdal-Eliashberg formalism: Insights from a first-principles study

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Pluengphon, Prayoonsak; Petchsirivej, Sukanya et al.

Ingår i Computational materials science, 2024

• DOI för Hydrogenation-induced superconducting properties of MgB2 2 investigated using Migdal-Eliashberg formalism: Insights from a first-principles study

Impact of quantum fluctuations thermally renormalize lattice vibrations on superconducting state of transition metal functionalized two-dimensional hydrides monolayer

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Luo, Wei; Bovornratanaraks, Thiti

Ingår i International journal of hydrogen energy, s. 420-433, 2024

• DOI för Impact of quantum fluctuations thermally renormalize lattice vibrations on superconducting state of transition metal functionalized two-dimensional hydrides monolayer

Novel hard and unusual superconducting monoclinic phase of FeB₂C₂: An ab initio evolutionary study

Kotmool, Komsilp; Pinsook, Udomsilp; Luo, Wei; Ahuja, Rajeev et al.

Ingår i Journal of Applied Physics, 2024

• DOI för Novel hard and unusual superconducting monoclinic phase of FeB₂C₂: An ab initio evolutionary study
• Ladda ner fulltext (pdf) av Novel hard and unusual superconducting monoclinic phase of FeB₂C₂: An ab initio evolutionary study

Investigation of the adsorption behaviour of toxic heavy metals and bacteria on two allotropes of low dimensional boron nitride: Implications for detection and elimination

Roondhe, Basant; Ahuja, Rajeev; Luo, Wei

Ingår i Applied Surface Science, 2024

• DOI för Investigation of the adsorption behaviour of toxic heavy metals and bacteria on two allotropes of low dimensional boron nitride: Implications for detection and elimination
• Ladda ner fulltext (pdf) av Investigation of the adsorption behaviour of toxic heavy metals and bacteria on two allotropes of low dimensional boron nitride: Implications for detection and elimination

From Stability to Superconductivity: A First-Principles Investigation of Sr-N Phases under Pressures and the N-Enhanced T_c Phenomenon

Sukmas, Wiwittawin; Tsuppayakorn-aek, Prutthipong; Luo, Wei; Bovornratanaraks, Thiti

Ingår i The Journal of Physical Chemistry C, s. 8374-8383, 2024

• DOI för From Stability to Superconductivity: A First-Principles Investigation of Sr-N Phases under Pressures and the N-Enhanced T_c Phenomenon
• Ladda ner fulltext (pdf) av From Stability to Superconductivity: A First-Principles Investigation of Sr-N Phases under Pressures and the N-Enhanced T_c Phenomenon

Thermodynamic and dynamic stability of NaLiC4: Exploring superconductivity in a layered hexagonal compound through first-principles calculations

Pluengphon, Prayoonsak; Sukmas, Wiwittawin; Tsuppayakorn-aek, Prutthipong; Kotmool, Komsilp et al.

Ingår i Journal of Physics and Chemistry of Solids, 2024

• DOI för Thermodynamic and dynamic stability of NaLiC4: Exploring superconductivity in a layered hexagonal compound through first-principles calculations

Configuration stability and physical properties of new diamondene structure

Niu, Caoping; Zhao, Jing; Xia, Wenming; Chen, Guo et al.

Ingår i Materials Today Communications, 2023

• DOI för Configuration stability and physical properties of new diamondene structure

Superconducting state of the van der Waals layered PdH2 structure at high pressure

Tsuppayakorn-aek, Prutthipong; Majumdar, Arnab; Ahuja, Rajeev; Bovornratanaraks, Thiti et al.

Ingår i International journal of hydrogen energy, s. 16769-16778, 2023

• DOI för Superconducting state of the van der Waals layered PdH2 structure at high pressure
• Ladda ner fulltext (pdf) av Superconducting state of the van der Waals layered PdH2 structure at high pressure

Homogeneous immobilization of simulated actinides in rhabdophane and comparison of its leaching stability with monazite

Zheng, Qiuyu; Zhao, Xiaofeng; Liu, Yang; Teng, Yuancheng et al.

Ingår i Progress in nuclear energy (New series), 2023

• DOI för Homogeneous immobilization of simulated actinides in rhabdophane and comparison of its leaching stability with monazite

Strain engineering of the electrocatalytic activity of nitrogen-rich BeN4 Dirac monolayer for hydrogen evolution reaction

Yang, Xiaoyong; Ahuja, Rajeev; Luo, Wei

Ingår i Nano Energy, 2023

• DOI för Strain engineering of the electrocatalytic activity of nitrogen-rich BeN4 Dirac monolayer for hydrogen evolution reaction
• Ladda ner fulltext (pdf) av Strain engineering of the electrocatalytic activity of nitrogen-rich BeN4 Dirac monolayer for hydrogen evolution reaction

Phonon-mediated superconductivity in Mg_1-xMo_xB₂ compounds: a crystal prediction via cluster expansion and particle-swarm optimization

Tsuppayakorn-aek, Prutthipong; Luo, Wei; Ahuja, Rajeev; Bovornratanaraks, Thiti

Ingår i Scientific Reports, 2023

• DOI för Phonon-mediated superconductivity in Mg_1-xMo_xB₂ compounds: a crystal prediction via cluster expansion and particle-swarm optimization
• Ladda ner fulltext (pdf) av Phonon-mediated superconductivity in Mg_1-xMo_xB₂ compounds: a crystal prediction via cluster expansion and particle-swarm optimization

Reconciling experimental and theoretical stacking fault energies in face-centered cubic materials with the experimental twinning stress

Werner, Konstantin V.; Niessen, Frank; Luo, Wei; Lu, Song et al.

Ingår i Materialia, 2023

• DOI för Reconciling experimental and theoretical stacking fault energies in face-centered cubic materials with the experimental twinning stress
• Ladda ner fulltext (pdf) av Reconciling experimental and theoretical stacking fault energies in face-centered cubic materials with the experimental twinning stress

Electronic topological transitions and mechanical properties of hafnium dioxide allotrope at high pressure: Evolutionary first-principles techniques

Bovornratanaraks, Thipok; Ahuja, Rajeev; Luo, Wei; Tsuppayakorn-aek, Prutthipong

Ingår i Physica. B, Condensed matter, 2023

• DOI för Electronic topological transitions and mechanical properties of hafnium dioxide allotrope at high pressure: Evolutionary first-principles techniques

Role of Lifshitz transition stabilized carbon hexagon structure from biaxial strain: A case of sodium carbide with superconducting condition

Tsuppayakorn-Aek, Prutthipong; Pluengphon, Prayoonsak; Sukmas, Wiwittawin; Sukserm, Akkarach et al.

Ingår i Ceramics International, s. 20088-20095, 2023

• DOI för Role of Lifshitz transition stabilized carbon hexagon structure from biaxial strain: A case of sodium carbide with superconducting condition

Janus Functionalized Boron-Nitride Nanosystems as a Potential Application for Absorber Layer in Solar Cells

Roondhe, Basant; Roondhe, Vaishali; Shukla, Alok; Shukla, Shobha et al.

Ingår i Advanced Electronic Materials, 2023

• DOI för Janus Functionalized Boron-Nitride Nanosystems as a Potential Application for Absorber Layer in Solar Cells
• Ladda ner fulltext (pdf) av Janus Functionalized Boron-Nitride Nanosystems as a Potential Application for Absorber Layer in Solar Cells

Incorporation of Th⁴⁺ and Sr²⁺ into Rhabdophane/Monazite by Wet Chemistry: Structure and Phase Stability

Zhao, Xiaofeng; Wang, Weipeng; Teng, Yuancheng; Li, Yuxiang et al.

Ingår i Inorganic Chemistry, s. 15605-15615, 2023

• DOI för Incorporation of Th⁴⁺ and Sr²⁺ into Rhabdophane/Monazite by Wet Chemistry: Structure and Phase Stability

Unveiling the Enigma of Matter under Extreme Conditions: From Planetary Cores to Functional Materials

Song, Yang; Luo, Wei; Wang, Yuejian; Jin, Changqing

Ingår i Scientific Reports, 2023

• DOI för Unveiling the Enigma of Matter under Extreme Conditions: From Planetary Cores to Functional Materials
• Ladda ner fulltext (pdf) av Unveiling the Enigma of Matter under Extreme Conditions: From Planetary Cores to Functional Materials

Mechanical, electronic and thermodynamic properties of crystalline molecular hydrogen at high pressure

Yang, Xiao-Yong; Ahuja, Rajeev; Luo, Wei

Ingår i Physics Letters A, 2023

• DOI för Mechanical, electronic and thermodynamic properties of crystalline molecular hydrogen at high pressure
• Ladda ner fulltext (pdf) av Mechanical, electronic and thermodynamic properties of crystalline molecular hydrogen at high pressure

Role of anharmonicity in phonon-mediated superconductivity of quasi- van der Waals layered XP2 (X = As, Sb, Bi) structures: Insight from first-principles calculations

Tsuppayakorn-aek, Prutthipong; Pluengphon, Prayoonsak; Sukmas, Wiwittawin; Sakulkalavek, Aparporn et al.

Ingår i Journal of Alloys and Compounds, 2023

• DOI för Role of anharmonicity in phonon-mediated superconductivity of quasi- van der Waals layered XP2 (X = As, Sb, Bi) structures: Insight from first-principles calculations

Response of Nd3+ and Sm3+ precipitating into rhabdophane and the leaching mechanism of associated monazite ceramics

Zhao, Xiaofeng; Teng, Yuancheng; Li, Yuxiang; Zheng, Xiayu et al.

Ingår i Journal of The American Ceramic Society, s. 1287-1298, 2023

• DOI för Response of Nd3+ and Sm3+ precipitating into rhabdophane and the leaching mechanism of associated monazite ceramics

Hydrogen-induced phase stability and phonon mediated-superconductivity in two-dimensional van der Waals Ti2C MXene monolayer

Tsuppayakorn-aek, P.; Bovornratanaraks, T.; Ahuja, Rajeev; Luo, Wei et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 2227-2233, 2023

• DOI för Hydrogen-induced phase stability and phonon mediated-superconductivity in two-dimensional van der Waals Ti2C MXene monolayer

First-principles calculations on superconductivity and H-diffusion kinetics in Mg-B-H phases under pressures

Sukmas, Wiwittawin; Tsuppayakorn-aek, Prutthipong; Pluengphon, Prayoonsak; Clark, Stewart J. et al.

Ingår i International journal of hydrogen energy, s. 4006-4015, 2023

• DOI för First-principles calculations on superconductivity and H-diffusion kinetics in Mg-B-H phases under pressures

Biaxial stress and functional groups (T = O, F, and Cl) tuning the structural, mechanical, and electronic properties of monolayer molybdenum carbide

Kotmool, Komsilp; Kaewmaraya, Thanayut; Hussain, Tanveer; Ahuja, Rajeev et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 17862-17869, 2022

• DOI för Biaxial stress and functional groups (T = O, F, and Cl) tuning the structural, mechanical, and electronic properties of monolayer molybdenum carbide

High-Pressure Structural Transformation Pathway and Electronic Properties of AgGaTe2: Ab Initio Evolutionary Structural Searching

Kotmool, K.; Tsuppayakorn-aek, P.; Luo, Wei; Ahuja, Rajeev et al.

Ingår i The Journal of Physical Chemistry C, s. 14236-14244, 2022

• DOI för High-Pressure Structural Transformation Pathway and Electronic Properties of AgGaTe2: Ab Initio Evolutionary Structural Searching

Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes

Khossossi, Nabil; Singh, Deobrat; Luo, Wei; Ahuja, Rajeev

Ingår i Electrochimica Acta, 2022

• DOI för Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes
• Ladda ner fulltext (pdf) av Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes

Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal-Eliashberg Theory

Tsuppayakorn-aek, Prutthipong; Ahuja, Rajeev; Bovornratanaraks, Thiti; Luo, Wei

Ingår i ACS Omega, s. 28190-28197, 2022

• DOI för Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal-Eliashberg Theory
• Ladda ner fulltext (pdf) av Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal-Eliashberg Theory

Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries

Khossossi, Nabil; Luo, Wei; Haman, Zakaryae; Singh, Deobrat et al.

Ingår i Nano Energy, 2022

• DOI för Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries
• Ladda ner fulltext (pdf) av Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries

Existence of yttrium allotrope with incommensurate host-guest structure at moderate pressure: First evidence from computational approach

Tsuppayakorn-aek, Prutthipong; Bovornratanaraks, Thipok; Ahuja, Rajeev; Bovornratanaraks, Thiti et al.

Ingår i Computational materials science, 2022

• DOI för Existence of yttrium allotrope with incommensurate host-guest structure at moderate pressure: First evidence from computational approach

Phase stability, phonon, electronic, and optical properties of not-yet-synthesized CsScS2, CsYS2, and APmS(2) (A= Li, Na, K, Rb, Cs) materials: Insights from first-principles calculations

Allal, Adel; Halit, Mohamed; Saib, Salima; Luo, Wei et al.

Ingår i Materials Science in Semiconductor Processing, 2022

• DOI för Phase stability, phonon, electronic, and optical properties of not-yet-synthesized CsScS2, CsYS2, and APmS(2) (A= Li, Na, K, Rb, Cs) materials: Insights from first-principles calculations

2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications

Singh, Deobrat; Khossossi, Nabil; Luo, Wei; Ainane, Abdelmajid et al.

Ingår i Materials Today Advances, 2022

• DOI för 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications
• Ladda ner fulltext (pdf) av 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications

Quadruple perovskite CaCu₃Fe₂Re₂O₁₂: A potential actuator based on a multiscale model

Liu, Zeliang; Li, Huijian; Yang, Xiao; Luo, Wei

Ingår i Materials Today Communications, 2022

• DOI för Quadruple perovskite CaCu₃Fe₂Re₂O₁₂: A potential actuator based on a multiscale model
• Ladda ner fulltext (pdf) av Quadruple perovskite CaCu₃Fe₂Re₂O₁₂: A potential actuator based on a multiscale model

Pressure-induced lattice-dynamical stability and superconductivity of ternary pentahydride MgNiH₅

Tsuppayakorn-aek, Prutthipong; Pluengphon, Prayoonsak; Sukmas, Wiwittawin; Inceesungvorn, Burapat et al.

Ingår i International Journal of Energy Research, s. 24064-24073, 2022

• DOI för Pressure-induced lattice-dynamical stability and superconductivity of ternary pentahydride MgNiH₅

Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double-edged sword in response to DNA damage in gastric cancer

Gupta, Shantanu; Panda, Pritam Kumar; Luo, Wei; Hashimoto, Ronaldo F. et al.

Ingår i Scientific Reports, 2022

• DOI för Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double-edged sword in response to DNA damage in gastric cancer
• Ladda ner fulltext (pdf) av Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double-edged sword in response to DNA damage in gastric cancer

Strong Optical Excitation and High Thermoelectric Performance in 2D Holey-Phosphorene Monolayer

Khossossi, Nabil; Singh, Deobrat; Luo, Wei; Ahuja, Rajeev

Ingår i Energy Technology, 2022

• DOI för Strong Optical Excitation and High Thermoelectric Performance in 2D Holey-Phosphorene Monolayer
• Ladda ner fulltext (pdf) av Strong Optical Excitation and High Thermoelectric Performance in 2D Holey-Phosphorene Monolayer

High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes

Anikina, Ekaterina; Naqvi, S. Rabab; Bae, Hyeonhu; Lee, Hoonkyung et al.

Ingår i International journal of hydrogen energy, s. 10654-10664, 2022

• DOI för High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes

Lattice dynamic stability and electronic structures of ternary hydrides La(1-x)Y(x)H(3)via first-principles cluster expansion

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Pluengphon, Prayoonsak; Inceesungvorn, Burapat et al.

Ingår i RSC Advances, s. 26808-26814, 2022

• DOI för Lattice dynamic stability and electronic structures of ternary hydrides La(1-x)Y(x)H(3)via first-principles cluster expansion
• Ladda ner fulltext (pdf) av Lattice dynamic stability and electronic structures of ternary hydrides La(1-x)Y(x)H(3)via first-principles cluster expansion

Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations

Edin, Emil; Blomqvist, Andreas; Luo, Wei; Ahuja, Rajeev

Ingår i The Journal of Physical Chemistry C, s. 3631-3639, 2021

• DOI för Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations
• Ladda ner fulltext (pdf) av Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations

Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure

Tsuppayakorn-aek, Prutthipong; Ektarawong, Annop; Jimlim, Pornmongkol; Kanchanavatee, Noravee et al.

Ingår i Computational materials science, 2021

• DOI för Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure

Enhanced overall water splitting under visible light of MoSSe vertical bar WSSe heterojunction by lateral interfacial engineering

Yang, Xiaoyong; Wärnå, John P.A.; Wang, Jing; Zhang, Ping et al.

Ingår i Journal of Catalysis, s. 18-31, 2021

• DOI för Enhanced overall water splitting under visible light of MoSSe vertical bar WSSe heterojunction by lateral interfacial engineering

High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus

Khossossi, Nabil; Singh, Deobrat; Banerjee, Amitava; Luo, Wei et al.

Ingår i ACS Applied Energy Materials, s. 7900-7910, 2021

• DOI för High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus
• Ladda ner fulltext (pdf) av High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus

Stabilization and electronic topological transition of hydrogen-rich metal Li₅MoH₁₁ under high pressures from first-principles predictions

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Ahuja, Rajeev; Luo, Wei et al.

Ingår i Scientific Reports, 2021

• DOI för Stabilization and electronic topological transition of hydrogen-rich metal Li₅MoH₁₁ under high pressures from first-principles predictions
• Ladda ner fulltext (pdf) av Stabilization and electronic topological transition of hydrogen-rich metal Li₅MoH₁₁ under high pressures from first-principles predictions

Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure

Tsuppayakorn-aek, Prutthipong; Zhang, Jianbo; Luo, Wei; Ding, Yang et al.

Ingår i Physica status solidi. B, Basic research, 2021

• DOI för Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure

Structure-based drug designing and immunoinformatics approach for SARS-CoV-2

Panda, Pritam Kumar; Arul, Murugan Natarajan; Patel, Paritosh; Verma, Suresh K. et al.

Ingår i Science Advances, 2020

• DOI för Structure-based drug designing and immunoinformatics approach for SARS-CoV-2
• Ladda ner fulltext (pdf) av Structure-based drug designing and immunoinformatics approach for SARS-CoV-2

Structural stability, mechanical, electronic and optical behaviour of RbXS2 (X = Y and La) under high pressure: A first-principle study

Allal, Adel; Bouchenafa, Mohamed; Halit, Mohamed; Saib, Salima et al.

Ingår i Journal of Alloys and Compounds, 2020

• DOI för Structural stability, mechanical, electronic and optical behaviour of RbXS2 (X = Y and La) under high pressure: A first-principle study

Mechanical and electronic properties of van der Waals layered hcp PdH2

Liu, Zeliang; Ahuja, Rajeev; Li, Huijian; Luo, Wei

Ingår i Scientific Reports, 2020

• DOI för Mechanical and electronic properties of van der Waals layered hcp PdH2
• Ladda ner fulltext (pdf) av Mechanical and electronic properties of van der Waals layered hcp PdH2

Route to high-T-c superconductivity of BC7 via strong bonding of boron-carbon compound at high pressure

Tsuppayakorn-aek, Prutthipong; Yang, Xiaoyong; Pluengphon, Prayoonsak; Luo, Wei et al.

Ingår i Scientific Reports, 2020

• DOI för Route to high-T-c superconductivity of BC7 via strong bonding of boron-carbon compound at high pressure
• Ladda ner fulltext (pdf) av Route to high-T-c superconductivity of BC7 via strong bonding of boron-carbon compound at high pressure

Superconductivity of superhydride CeH(10)under high pressure

Tsuppayakorn-aek, Prutthipong; Pinsook, Udomsilp; Luo, Wei; Ahuja, Rajeev et al.

Ingår i Materials Research Express, 2020

• DOI för Superconductivity of superhydride CeH(10)under high pressure
• Ladda ner fulltext (pdf) av Superconductivity of superhydride CeH(10)under high pressure

High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first-principles molecular dynamics

Majumdar, Arnab; Yang, Xiaoyong; Luo, Wei; Chowdhury, Suman et al.

Ingår i Applied Surface Science, 2020

• DOI för High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first-principles molecular dynamics

Exploring two-dimensional M2NS2 (M = Ti, V) MXenes based gas sensors for air pollutants

Naqvi, Syeda Rabab; Shukla, Vivekanand; Jena, Naresh Kumar; Luo, Wei et al.

Ingår i Applied Materials Today, 2020

• DOI för Exploring two-dimensional M2NS2 (M = Ti, V) MXenes based gas sensors for air pollutants

Fluoride ion batteries: Designing flexible M2CH2 (M=Ti or V) MXenes as high-capacity cathode materials

Yang, Xiaoyong; Luo, Wei; Ahuja, Rajeev

Ingår i Nano Energy, 2020

• DOI för Fluoride ion batteries: Designing flexible M2CH2 (M=Ti or V) MXenes as high-capacity cathode materials

Electronic structure and dynamic properties of two-dimensional W x Mo 1?: x S 2 ternary alloys from first -principles calculations

Meng, Dongxue; Li, Mingkai; Long, Debing; Cheng, Yang et al.

Ingår i Computational materials science, 2020

• DOI för Electronic structure and dynamic properties of two-dimensional W x Mo 1?: x S 2 ternary alloys from first -principles calculations

Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen

Ji, Cheng; Li, Bing; Liu, Wenjun; Smith, Jesse S. et al.

Ingår i MATTER AND RADIATION AT EXTREMES, 2020

• DOI för Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen
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Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction

Zhao, Xiaofeng; Yang, Xiaoyong; Singh, Deobrat; Panda, Pritam Kumar et al.

Ingår i The Journal of Physical Chemistry C, s. 7884-7892, 2020

• DOI för Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction
• Ladda ner fulltext (pdf) av Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction

Superior sensitivity of metal functionalized boron carbide (BC3) monolayer towards carbonaceous pollutants

Naqvi, Syeda R.; Hussain, Tanveer; R. Gollu, Sankara; Luo, Wei et al.

Ingår i Applied Surface Science, 2020

• DOI för Superior sensitivity of metal functionalized boron carbide (BC3) monolayer towards carbonaceous pollutants

Ground-state structure of semiconducting and superconducting phases in xenon carbides at high pressure

Bovornratanaraks, Thiti; Tsuppayakorn-aek, Prutthipong; Luo, Wei; Ahuja, Rajeev

Ingår i Scientific Reports, 2019

• DOI för Ground-state structure of semiconducting and superconducting phases in xenon carbides at high pressure
• Ladda ner fulltext (pdf) av Ground-state structure of semiconducting and superconducting phases in xenon carbides at high pressure

MD study of C diffusion in WC/W interfaces observed in cemented carbides

Edin, Emil; Blomqvist, Andreas; Lattemann, Martina; Luo, Wei et al.

Ingår i International journal of refractory metals & hard materials, 2019

• DOI för MD study of C diffusion in WC/W interfaces observed in cemented carbides

First principles study of C diffusion in WC/W interfaces observed in WC/Co tools after Ti-alloy machining

Edin, Emil; Luo, Wei; Ahuja, Rajeev; Kaplan, Bartek et al.

Ingår i Computational materials science, s. 236-243, 2019

• DOI för First principles study of C diffusion in WC/W interfaces observed in WC/Co tools after Ti-alloy machining

Ultrahigh-pressure isostructural electronic transitions in hydrogen

Ji, Cheng; Li, Bing; Liu, Wenjun; Smith, Jesse S. et al.

Ingår i Nature, s. 558-562, 2019

• DOI för Ultrahigh-pressure isostructural electronic transitions in hydrogen

Pressure-induced reentrant transition in NbS3 phases: Combined Raman scattering and x-ray diffraction study

Abdel-Hafiez, Mahmoud; Thiyagarajan, R.; Majumdar, Arnab; Ahuja, Rajeev et al.

Ingår i Physical Review B, 2019

• DOI för Pressure-induced reentrant transition in NbS3 phases: Combined Raman scattering and x-ray diffraction study

Modeling High-performing Batteries with Mxenes: The case of S-functionalized two- Dimensional Nitride Mxene Electrode

Shukla, Vivekanand; Jena, Naresh K.; Naqvi, S. Rabab; Luo, Wei et al.

Ingår i Nano Energy, s. 877-885, 2019

• DOI för Modeling High-performing Batteries with Mxenes: The case of S-functionalized two- Dimensional Nitride Mxene Electrode

Structural prediction of host-guest structure in lithium at high pressure

Tsuppayakorn-aek, Prutthipong; Luo, Wei; Watcharatharapong, Teeraphat; Ahuja, Rajeev et al.

Ingår i Scientific Reports, 2018

• DOI för Structural prediction of host-guest structure in lithium at high pressure
• Ladda ner fulltext (pdf) av Structural prediction of host-guest structure in lithium at high pressure

The High-Pressure Superconducting Phase of Arsenic

Tsuppayakorn-aek, Prutthipong; Luo, Wei; Ahuja, Rajeev; Bovornratanaraks, Thiti

Ingår i Scientific Reports, 2018

• DOI för The High-Pressure Superconducting Phase of Arsenic
• Ladda ner fulltext (pdf) av The High-Pressure Superconducting Phase of Arsenic

Mechanical properties investigation on single-wall ZrO2 nanotubes: A finite element method with equivalent Poisson's ratio for chemical bonds

Yang, Xiao; Li, Huijian; Hu, Minzheng; Liu, Zeliang et al.

Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 23-28, 2018

• DOI för Mechanical properties investigation on single-wall ZrO2 nanotubes: A finite element method with equivalent Poisson's ratio for chemical bonds

Metallized siligraphene nanosheets (SiC7) as high capacity hydrogen storage materials

Naqvi, Syeda Rabab; Hussain, Tanveer; Luo, Wei; Ahuja, Rajeev

Ingår i Nano Reseach, s. 3802-3813, 2018

• DOI för Metallized siligraphene nanosheets (SiC7) as high capacity hydrogen storage materials

The ideal commensurate value of Sc and the superconducting phase under high pressure

Tsuppayakorn-aek, Prutthipong; Luo, Wei; Pungtrakoon, Wirunti; Chuenkingkeaw, Kittana et al.

Ingår i Journal of Applied Physics, 2018

• DOI för The ideal commensurate value of Sc and the superconducting phase under high pressure

Accounting for the thermo-stability of PdHx (x=1-3) by density functional theory

Long, Debing; Li, Mingkai; Meng, Dongxue; He, Yunbin et al.

Ingår i International journal of hydrogen energy, s. 18372-18381, 2018

• DOI för Accounting for the thermo-stability of PdHx (x=1-3) by density functional theory

Manipulating energy storage characteristics of ultrathin boron carbide monolayer under varied scandium doping

Naqvi, S. Rabab; Hussain, T.; Panigrahi, P.; Luo, Wei et al.

Ingår i RSC Advances, s. 8598-8605, 2017

• DOI för Manipulating energy storage characteristics of ultrathin boron carbide monolayer under varied scandium doping
• Ladda ner fulltext (pdf) av Manipulating energy storage characteristics of ultrathin boron carbide monolayer under varied scandium doping

Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure

Yang, Xiao; Li, Huijian; Ahuja, Rajeev; Kang, Taewon et al.

Ingår i Scientific Reports, 2017

• DOI för Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure
• Ladda ner fulltext (pdf) av Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure

Hexagonal Boron Nitride (h-BN) Sheets Decorated with OLi, ONa, and Li2F Molecules for Enhanced Energy Storage

Naqvi, Syeda Rabab; Rao, Gollu Sankar; Luo, Wei; Ahuja, Rajeev et al.

Ingår i ChemPhysChem, s. 513-518, 2017

• DOI för Hexagonal Boron Nitride (h-BN) Sheets Decorated with OLi, ONa, and Li2F Molecules for Enhanced Energy Storage

Exploring Doping Characteristics of Various Adatoms on Single-Layer Stanene

Naqvi, Syeda Rabab; Hussain, T.; Luo, Wei; Ahuja, Rajeev

Ingår i The Journal of Physical Chemistry C, s. 7667-7676, 2017

• DOI för Exploring Doping Characteristics of Various Adatoms on Single-Layer Stanene

Promising optical characteristics of zinc peroxide from first-principles investigation

Bouibes, A.; Zaoui, A.; Luo, Wei; Ahuja, Rajeev

Ingår i Solid State Communications, s. 6-9, 2017

• DOI för Promising optical characteristics of zinc peroxide from first-principles investigation

Anisotropic distortion and Lifshitz transition in alpha-Hf under pressure

Sun, Weiwei; Luo, Wei; Feng, Qingguo; Ahuja, Rajeev

Ingår i Physical Review B, 2017

• DOI för Anisotropic distortion and Lifshitz transition in alpha-Hf under pressure

Necessary and sufficient elastic stability conditions in 21 quasicrystal Laue classes

Liu, Zeliang; Li, Huijian; Fan, Changzeng; Luo, Wei

Ingår i European journal of mechanics. A, Solids, s. 30-39, 2017

• DOI för Necessary and sufficient elastic stability conditions in 21 quasicrystal Laue classes

Hierarchical Aerographite nano-microtubular tetrapodal networks based electrodes as lightweight supercapacitor

Parlak, Onur; Mishra, Yogendra Kumar; Grigoriev, Anton; Mecklenburg, Matthias et al.

Ingår i Nano Energy, s. 570-577, 2017

• DOI för Hierarchical Aerographite nano-microtubular tetrapodal networks based electrodes as lightweight supercapacitor

Role of vacancies, light elements and rare-earth metals doping in CeO2

Shi, H.; Hussain, T.; Ahuja, Rajeev; Kang, T. W. et al.

Ingår i Scientific Reports, 2016

• DOI för Role of vacancies, light elements and rare-earth metals doping in CeO2
• Ladda ner fulltext (pdf) av Role of vacancies, light elements and rare-earth metals doping in CeO2

Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium

Mir, Showkat H.; Jha, Prakash C.; Islam, Muhammed Shafiqul; Banarjee, Amitava et al.

Ingår i Scientific Reports, 2016

• DOI för Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium
• Ladda ner fulltext (pdf) av Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium

High pressure-induced distortion in face-centered cubic phase of thallium

Kotmool, Komsilp; Li, Bing; Chakraborty, Sudip; Bovornratanaraks, Thiti et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 11143-11147, 2016

• DOI för High pressure-induced distortion in face-centered cubic phase of thallium

Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide

Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu; Zhang, Shiliang et al.

Ingår i Scientific Reports, 2015

• DOI för Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide
• Ladda ner fulltext (pdf) av Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide

Stability of a new cubic monoxide of Thorium under pressure

Sun, Weiwei; Luo, Wei; Ahuja, Rajeev

Ingår i Scientific Reports, 2015

• DOI för Stability of a new cubic monoxide of Thorium under pressure
• Ladda ner fulltext (pdf) av Stability of a new cubic monoxide of Thorium under pressure

A new, layered monoclinic phase of Co3O4 at high pressure

Kaewmaraya, Thanayut; Luo, Wei; Yang, Xiao; Panigrahi, Puspamitra et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 19957-19961, 2015

• DOI för A new, layered monoclinic phase of Co3O4 at high pressure

Cerium; Crystal Structure and Position in The Periodic Table

Johansson, Borje; Luo, Wei; Li, Sa; Ahuja, Rajeev

Ingår i Scientific Reports, s. 6398, 2014

• DOI för Cerium; Crystal Structure and Position in The Periodic Table

Improvement in the desorption of H-2 from the MgH2 (110) surface by means of doping and mechanical strain

Sun, Weiwei; Hussain, Tanveer; De Sarkar, Abir; Maark, Tuhina Adit et al.

Ingår i Computational materials science, s. 165-169, 2014

• DOI för Improvement in the desorption of H-2 from the MgH2 (110) surface by means of doping and mechanical strain

Revealing an unusual transparent phase of superhard iron tetraboride under high pressure

Kotmool, Komsilp; Kaewmaraya, Thanayut; Chakraborty, Sudip; Anversa, Jonas et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 17050-17053, 2014

• DOI för Revealing an unusual transparent phase of superhard iron tetraboride under high pressure

Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6

Li, Yan-Ling; Luo, Wei; Chen, Xiao-Jia; Zeng, Zhi et al.

Ingår i Scientific Reports, s. 3331, 2013

• DOI för Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6
• Ladda ner fulltext (pdf) av Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6

Single-layer MoS2 as an efficient photocatalyst

Li, Yunguo; Li, Yan-Ling; Araujo, Carlos Moyses; Luo, Wei et al.

Ingår i Catalysis Science & Technology, s. 2214-2220, 2013

• DOI för Single-layer MoS2 as an efficient photocatalyst

Lithium and Calcium Carbides with Polymeric Carbon Structures

Benson, Daryn; Li, Yanling; Luo, Wei; Ahuja, Rajeev et al.

Ingår i Inorganic Chemistry, s. 6402-6406, 2013

• DOI för Lithium and Calcium Carbides with Polymeric Carbon Structures

Pressure-induced superconductivity in CaC₂

Li, Yan-Ling; Luo, Wei; Zeng, Zhi; Lin, Hai-Qing et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 9289-9294, 2013

• DOI för Pressure-induced superconductivity in CaC₂

Evidence of a medium-range ordered phase and mechanical instabilities in strontium under high pressure

Srepusharawoot, P.; Luo, Wei; Bovornratanaraks, T.; Ahuja, Rajeev et al.

Ingår i Solid State Communications, s. 1172-1175, 2012

• DOI för Evidence of a medium-range ordered phase and mechanical instabilities in strontium under high pressure

Role of correlation and relativistic effects in MAX phases

Sun, Weiwei; Luo, Wei; Ahuja, Rajeev

Ingår i Journal of Materials Science, s. 7615-7620, 2012

• DOI för Role of correlation and relativistic effects in MAX phases

High pressure, mechanical, and optical properties of ZrW₂O₈

Ramzan, Muhammad; Luo, Wei; Ahuja, Rajeev

Ingår i Journal of Applied Physics, 2011

• DOI för High pressure, mechanical, and optical properties of ZrW₂O₈

Dynamical stability of body center cubic iron at the Earth's core conditions

Luo, Wei; Johansson, Börje; Eriksson, Olle; Arapan, Sergiu et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 9962-9964, 2010

• DOI för Dynamical stability of body center cubic iron at the Earth's core conditions

Distortions and stabilization of simple-cubic calcium at high pressure and low temperature

Mao, Wendy L.; Wang, Lin; Ding, Yang; Yang, Wenge et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 9965-9968, 2010

• DOI för Distortions and stabilization of simple-cubic calcium at high pressure and low temperature

Substitutional alloy of Ce and Al

Zeng, Qiao-Shi; Ding, Yang; Mao, Wendy L; Luo, Wei et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 2515-2518, 2009

• DOI för Substitutional alloy of Ce and Al

Electronic and elastic properties of CaF2 under high pressure from ab initio calculations

Shi, H; Luo, Wei; Johansson, Börje; Ahuja, Rajeev

Ingår i Journal of Physics, s. 415501, 2009

• DOI för Electronic and elastic properties of CaF2 under high pressure from ab initio calculations

Synthesis and compressive behavior of Cr2GeC up to 48 GPa

Phatak, Nishad A.; Kulkarni, Shrinivas R.; Drozd, Vadym; Saxena, Surendra K. et al.

Ingår i Journal of Alloys and Compounds, s. 220-225, 2008

• DOI för Synthesis and compressive behavior of Cr2GeC up to 48 GPa

First-principles calculations of the electronic structure and pressure-induced magnetic transition in siderite FeCO3

Shi, H.; Luo, Wei; Johansson, Börje; Ahuja, Rajeev

Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 155119, 2008

• DOI för First-principles calculations of the electronic structure and pressure-induced magnetic transition in siderite FeCO3

Magnetic Fe(n+1)AC(n) (n=1, 2, 3, and A = Al, Si, Ge) phases: from ab initio theory

Luo, Wei; Ahuja, Rajeev

Ingår i Journal of Physics, 2008

• DOI för Magnetic Fe(n+1)AC(n) (n=1, 2, 3, and A = Al, Si, Ge) phases: from ab initio theory

NANOLAYERED MAX PHASES FROM ab initio CALCULATIONS

Luo, Wei; Fang, C. M.; Ahuja, Rajeev

Ingår i International Journal of Modern Physics B, s. 4495-4499, 2008

Electronic structure of a thermoelectric material: CsBi4Te6

Luo, Wei; de Almeida, J. Souza; Osorio-Guillen, J. M.; Ahuja, Rajeev

Ingår i Journal of Physics and Chemistry of Solids, s. 2274-2276, 2008

• DOI för Electronic structure of a thermoelectric material: CsBi4Te6

Study of Ti2SC under compression up to 47 GPa

Kulkarni, Shrinivas R.; Vennila, R. Selva; Phatak, Nishad A.; Saxena, S. K. et al.

Ingår i Journal of Alloys and Compounds, 2008

• DOI för Study of Ti2SC under compression up to 47 GPa

Elemental engineering: Epitaxial uranium thin films

Springell, R.; Detlefs, B.; Lander, G. H.; Ward, R. C. C. et al.

Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 193403, 2008

• DOI för Elemental engineering: Epitaxial uranium thin films

Ab initio prediction of high-pressure structural phase transition in BaH2

Luo, Wei; Ahuja, Rajeev

Ingår i Journal of Alloys and Compounds, s. 405-408, 2007

• DOI för Ab initio prediction of high-pressure structural phase transition in BaH2

The unique high-pressure behavior of curiurn probed further using alloys

Heathman, S.; Haire, R. G.; Le Bihan, T.; Ahuja, Rajeev et al.

Ingår i Journal of Alloys and Compounds, s. 138-141, 2007

• DOI för The unique high-pressure behavior of curiurn probed further using alloys

Noblest of all metals is structurally unstable at high pressure

Dubrovinsky, L.; Dubrovinskaia, N.; Crichton, W. A.; Mikhaylushkin, Arkady S. et al.

Ingår i Physical Review Letters, 2007

• DOI för Noblest of all metals is structurally unstable at high pressure

Structural phase transition of vanadium at 69 GPa

Ding, Yang; Ahuja, Rajeev; Shu, Jinfu; Chow, Paul et al.

Ingår i Physical Review Letters, 2007

• DOI för Structural phase transition of vanadium at 69 GPa

High-pressure structural transitions in Cm and Am0.5Cm0.5 binary alloy

Ahuja, Rajeev; Luo, Wei; Johansson, Börje

Ingår i High Pressure Research, s. 377-381, 2006

• DOI för High-pressure structural transitions in Cm and Am0.5Cm0.5 binary alloy

Ab initio investigation on the phase stability of Ti3SiC2, Ti3Si0.5Ge0.5C2 and

Ahuja, Rajeev; Sun, Z; Luo, Wei

Ingår i High Pressure Research, s. 127, 2006

Structural phase transitions in brookite-type TiO2 under high pressure

Luo, Wei; Ahuja, Rajeev; Johansson, Börje

Ingår i Solid State Communications, s. 49, 2005

Relativistic Effects Driven Structural Phase Transition in Gold at High Pressure

Dubrovinsky, L.; Dubrovinskaia, N.; S. de Almeida, J.; Luo, Wei et al.

Ingår i Nature

Promise and reality of organic electrodes from materials design and charge storage perspective

Banerjee, Amitava; Khossossi, Nabil; Luo, Wei; Ahuja, Rajeev

Ingår i Journal of Materials Chemistry A, s. 15215-15234, 2022

• DOI för Promise and reality of organic electrodes from materials design and charge storage perspective
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The effects of strain and doping on the release of hydrogen fromthe MgH2(110) surface

Sun, Weiwei; Hussain, Tanveer; Sarkar, Abir De; Maark, Tuhina Adit et al.

2013

Study of C diffusion in WC/W boundaries using Adaptive Kinetic Monte Carlo

Edin, Emil; Blomqvist, Andreas; Luo, Wei; Ahuja, Rajeev

interfaceBuilder, a python tool for building and analyzing interfaces suitable for use in large screening applications

Edin, Emil; Blomqvist, Andreas; Lattemann, Martina; Luo, Wei et al.