Rafael Araujo

Exploring radical formation and ultrafast intersystem crossing in a heavy-atom-free thiophene derivative

Sihn, Luca M.; Bericat Vadell, Robert; Araujo, Rafael; Mukherjee, Atripan et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 17303-17312, 2025

• DOI for Exploring radical formation and ultrafast intersystem crossing in a heavy-atom-free thiophene derivative

Machine Learning‐Guided Design of L1₂‐Type Pt‐Based High‐Entropy Intermetallic Compound for Electrocatalytic Hydrogen Evolution

Wang, Zhe; Chen, Xi; Lin, Ting; Zhang, Baokun et al.

Part of Advanced Materials, 2025

• DOI for Machine Learning‐Guided Design of L1₂‐Type Pt‐Based High‐Entropy Intermetallic Compound for Electrocatalytic Hydrogen Evolution

Coherent Phonons, Localization, and Slow Polaron Formation in Lead-Free Gold Perovskite

Ramesh, Sankaran; Wang, Yonghong; Chabera, Pavel; Araujo, Rafael et al.

Part of Advanced Optical Materials, 2025

• DOI for Coherent Phonons, Localization, and Slow Polaron Formation in Lead-Free Gold Perovskite
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Synchronized Photoluminescence and Electrical Mobility Enhancement in 2D WS₂ through Sequence-Specific Chemical Passivation

Li, Zhaojun; Nameirakpam, Henry; Berggren, Elin; Noumbe, Ulrich et al.

Part of Journal of the American Chemical Society, p. 35146-35154, 2024

• DOI for Synchronized Photoluminescence and Electrical Mobility Enhancement in 2D WS₂ through Sequence-Specific Chemical Passivation
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Absorption, excitonic emission, and vibration modes in quantum confined lead halide 2D nanoplatelets

Aboulsaad, Mustafa; Araujo, Rafael; Edvinsson, Tomas

2024

Exploring radical formation and ultrafast intersystem crossing in a heavy-atom-free thiophene derivative

Sihn, Luca M.; Bericat Vadell, Robert; Araujo, Rafael; Mukherjee, Atripan et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 17303-17312, 2025

• DOI for Exploring radical formation and ultrafast intersystem crossing in a heavy-atom-free thiophene derivative

Machine Learning‐Guided Design of L1₂‐Type Pt‐Based High‐Entropy Intermetallic Compound for Electrocatalytic Hydrogen Evolution

Wang, Zhe; Chen, Xi; Lin, Ting; Zhang, Baokun et al.

Part of Advanced Materials, 2025

• DOI for Machine Learning‐Guided Design of L1₂‐Type Pt‐Based High‐Entropy Intermetallic Compound for Electrocatalytic Hydrogen Evolution

Coherent Phonons, Localization, and Slow Polaron Formation in Lead-Free Gold Perovskite

Ramesh, Sankaran; Wang, Yonghong; Chabera, Pavel; Araujo, Rafael et al.

Part of Advanced Optical Materials, 2025

• DOI for Coherent Phonons, Localization, and Slow Polaron Formation in Lead-Free Gold Perovskite
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Synchronized Photoluminescence and Electrical Mobility Enhancement in 2D WS₂ through Sequence-Specific Chemical Passivation

Li, Zhaojun; Nameirakpam, Henry; Berggren, Elin; Noumbe, Ulrich et al.

Part of Journal of the American Chemical Society, p. 35146-35154, 2024

• DOI for Synchronized Photoluminescence and Electrical Mobility Enhancement in 2D WS₂ through Sequence-Specific Chemical Passivation
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Raman activities of nitrogen reduction and ammonia oxidation intermediates on the high-entropy alloy CoCuFeMoNi catalytic surface

Araujo, Rafael; Thyr, Jakob; Bayrak Pehlivan, Ilknur; Edvinsson, Tomas

Part of Journal of Chemical Physics, 2024

• DOI for Raman activities of nitrogen reduction and ammonia oxidation intermediates on the high-entropy alloy CoCuFeMoNi catalytic surface
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Supervised AI and Deep Neural Networks to Evaluate High-Entropy Alloys as Reduction Catalysts in Aqueous Environments

Araujo, Rafael; Edvinsson, Tomas

Part of ACS Catalysis, p. 3742-3755, 2024

• DOI for Supervised AI and Deep Neural Networks to Evaluate High-Entropy Alloys as Reduction Catalysts in Aqueous Environments
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Clearing Up Discrepancies in 2D and 3D Nickel Molybdate Hydrate Structures

Dürr, Robin N.; Maltoni, Pierfrancesco; Feng, Shihui; Ghorai, Sagar et al.

Part of Inorganic Chemistry, 2024

• DOI for Clearing Up Discrepancies in 2D and 3D Nickel Molybdate Hydrate Structures
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N-2 adsorption on high-entropy alloy surfaces: unveiling the role of local environments

Araujo, Rafael; Edvinsson, Tomas

Part of Journal of Materials Chemistry A, p. 12973-12983, 2023

• DOI for N-2 adsorption on high-entropy alloy surfaces: unveiling the role of local environments
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High-entropy alloy catalysts: Fundamental aspects, promises towards electrochemical NH₃ production, and lessons to learn from deep neural networks

Araujo, Rafael B.; Bayrak Pehlivan, Ilknur; Edvinsson, Tomas

Part of Nano Energy, 2023

• DOI for High-entropy alloy catalysts: Fundamental aspects, promises towards electrochemical NH₃ production, and lessons to learn from deep neural networks
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Alloying in an Intercalation Host: Metal Titanium Niobates as Anodes for Rechargeable Alkali-Ion Batteries

Das, Suman; Swain, Diptikanta; Araujo, Rafael Barros Neves de; Shi, Songxin et al.

Part of Chemistry - An Asian Journal, p. 299-310, 2018

• DOI for Alloying in an Intercalation Host: Metal Titanium Niobates as Anodes for Rechargeable Alkali-Ion Batteries

Borophene's tryst with stability: exploring 2D hydrogen boride as an electrode for rechargeable batteries

Shukla, Vivekanand; Araujo, Rafael Barros Neves de; Jena, Naresh K.; Ahuja, Rajeev

Part of Physical Chemistry, Chemical Physics - PCCP, p. 22008-22016, 2018

• DOI for Borophene's tryst with stability: exploring 2D hydrogen boride as an electrode for rechargeable batteries

Identifying the tuning key of disproportionation redox reaction in terephthalate: A Li-based anode for sustainable organic batteries

Banerjee, Amitava; Araujo, Rafael Barros; Sjödin, Martin; Ahuja, Rajeev

Part of Nano Energy, p. 301-308, 2018

• DOI for Identifying the tuning key of disproportionation redox reaction in terephthalate: A Li-based anode for sustainable organic batteries

Assessing Electrochemical Properties of Polypyridine and Polythiophene for Prospective Application in Sustainable Organic Batteries

Araujo, Rafael B.; Banerjee, Amitava; Panigrahi, Puspamitra; Yang, Li et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3307-3314, 2017

• DOI for Assessing Electrochemical Properties of Polypyridine and Polythiophene for Prospective Application in Sustainable Organic Batteries

Designing strategies to tune reduction potential of organic molecules for sustainable high capacity batteries application

Araujo, Rafael B.; Banerjee, Amitava; Panigrahi, Puspamitra; Yang, Li et al.

Part of Journal of Materials Chemistry A, p. 4430-4454, 2017

• DOI for Designing strategies to tune reduction potential of organic molecules for sustainable high capacity batteries application

Borophane as a Benchmate of Graphene: A Potential 2D Material for Anode of Li and Na-Ion Batteries

Jena, Naresh K.; Araujo, Rafael Barros Neves de; Shukla, Vivekanand; Ahuja, Rajeev

Part of ACS Applied Materials and Interfaces, p. 16148-16158, 2017

• DOI for Borophane as a Benchmate of Graphene: A Potential 2D Material for Anode of Li and Na-Ion Batteries

The Curious Case of Two Dimensional Si₂BN: A High-capacity Battery Anode Material

Shukla, Vivekanand; Araujo, Rafael Barros Neves de; Jena, Naresh K.; Ahuja, Rajeev

Part of Nano Energy, p. 251-260, 2017

• DOI for The Curious Case of Two Dimensional Si₂BN: A High-capacity Battery Anode Material

Divulging the Hidden Capacity and Sodiation Kinetics of Na_xC₆Cl₄O₂: A High Voltage Organic Cathode for Sodium Rechargeable Batteries

Araujo, Rafael Barros Neves de; Banerjee, Amitava; Ahuja, Rajeev

Part of The Journal of Physical Chemistry C, p. 14027-14036, 2017

• DOI for Divulging the Hidden Capacity and Sodiation Kinetics of Na_xC₆Cl₄O₂: A High Voltage Organic Cathode for Sodium Rechargeable Batteries

Na2.32Co1.84(SO4)(3) as a new member of the alluaudite family of high-voltage sodium battery cathodes

Dwibedi, Debasmita; Gond, Ritambhara; Dayamani, Allumolu; Araujo, Rafael B. et al.

Part of Dalton Transactions, p. 55-63, 2017

• DOI for Na2.32Co1.84(SO4)(3) as a new member of the alluaudite family of high-voltage sodium battery cathodes

Unveiling the thermodynamic and kinetic properties of Na_xFe(SO₄)₂ (x = 0–2): toward a high-capacity and low-cost cathode material

Banerjee, Amitava; Araujo, Rafael B.; Ahuja, Rajeev

Part of Journal of Materials Chemistry A, p. 17960-17969, 2016

• DOI for Unveiling the thermodynamic and kinetic properties of Na_xFe(SO₄)₂ (x = 0–2): toward a high-capacity and low-cost cathode material
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Predicting electrochemical properties and ionic diffusion in Na2+2xMn2-x(SO4)(3): crafting a promising high voltage cathode material

Araujo, Rafael B.; Islam, Muhammed Shafiqul; Chakraborty, Sudip; Ahuja, R.

Part of Journal of Materials Chemistry A, p. 451-457, 2016

• DOI for Predicting electrochemical properties and ionic diffusion in Na2+2xMn2-x(SO4)(3): crafting a promising high voltage cathode material

Evaluating bulk Nb2O2F3 for Li-battery electrode applications

Araujo, Rafael B.; Ahuja, Rajeev

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3530-3535, 2016

• DOI for Evaluating bulk Nb2O2F3 for Li-battery electrode applications

Ionothermal Synthesis of High-Voltage Alluaudite Na2+2xFe2-x(SO4)(3) Sodium Insertion Compound: Structural, Electronic, and Magnetic Insights

Dwibedi, Debasmita; Ling, Chris D.; Araujo, Rafael B.; Chakraborty, Sudip et al.

Part of ACS Applied Materials and Interfaces, p. 6982-6991, 2016

• DOI for Ionothermal Synthesis of High-Voltage Alluaudite Na2+2xFe2-x(SO4)(3) Sodium Insertion Compound: Structural, Electronic, and Magnetic Insights

Na2M2(SO4)(3) (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications

Araujo, Rafael B.; Chakraborty, Sudip; Barpanda, Prabeer; Ahuja, Rajeev

Part of Physical Chemistry, Chemical Physics - PCCP, p. 9658-9665, 2016

• DOI for Na2M2(SO4)(3) (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications

Unveiling the charge migration mechanism in Na2O2 : implications for sodium air batteries

Araujo, Rafael Barros Neves; Chakraborty, Sudip; Ahuja, Rajeev

Part of Physical Chemistry, Chemical Physics - PCCP, 2015

Unveiling the charge migration mechanism in Na2O2: implications for sodium-air batteries

Araujo, Rafael B.; Chakraborty, Sudip; Ahuja, Rajeev

Part of Physical Chemistry, Chemical Physics - PCCP, p. 8203-8209, 2015

• DOI for Unveiling the charge migration mechanism in Na2O2: implications for sodium-air batteries

Insights in the electronic structure and redox reaction energy in LiFePO4 battery material from an accurate Tran-Blaha modified Becke Johnson potential

Araujo, Rafael B.; de Almeida, J. S.; da Silva, A. Ferreira; Ahuja, Rajeev

Part of Journal of Applied Physics, 2015

• DOI for Insights in the electronic structure and redox reaction energy in LiFePO4 battery material from an accurate Tran-Blaha modified Becke Johnson potential

Na2.44Mn1.79(SO4)(3): a new member of the alluaudite family of insertion compounds for sodium ion batteries

Dwibedi, Debasmita; Araujo, Rafael B.; Chakraborty, Sudip; Shanbogh, Pradeep P. et al.

Part of Journal of Materials Chemistry A, p. 18564-18571, 2015

• DOI for Na2.44Mn1.79(SO4)(3): a new member of the alluaudite family of insertion compounds for sodium ion batteries

First-principles investigation of Li ion diffusion in Li2FeSiO4

Araujo, Rafael Barros Neves de; Scheicher, Ralph H.; de Almeida, J. S.; Ferreira da Silva, A. et al.

Part of Solid State Ionics, p. 8-14, 2013

• DOI for First-principles investigation of Li ion diffusion in Li2FeSiO4

Lithium transport investigation in LixFeSiO4: A promising cathode material

Araujo, Rafael B.; Scheicher, Ralph H.; de Almeida, J. S.; Ferreira da Silva, A. et al.

Part of Solid State Communications, p. 9-13, 2013

• DOI for Lithium transport investigation in LixFeSiO4: A promising cathode material

Advancing electrocatalytic reactions through mapping key intermediates to active sites via descriptors

Sun, Xiaowen; Araujo, Rafael; dos Santos, Egon Campos; Sang, Yuanhua et al.

Part of Chemical Society Reviews, p. 7392-7425, 2024

• DOI for Advancing electrocatalytic reactions through mapping key intermediates to active sites via descriptors

Current computational trends in polyanionic cathode materials for Li and Na batteries

Chakraborty, Sudip; Banerjee, Amitava; Watcharatharapong, Teeraphat; Araujo, Rafael Barros et al.

Part of Journal of Physics, 2018

• DOI for Current computational trends in polyanionic cathode materials for Li and Na batteries

Energy Storage Materials: Insights From ab Initio Theory: Diffusion, Structure, Thermodynamics and Design.

Araújo, Rafael Barros Neves de

2017

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Absorption, excitonic emission, and vibration modes in quantum confined lead halide 2D nanoplatelets

Aboulsaad, Mustafa; Araujo, Rafael; Edvinsson, Tomas

2024

Implications of quantum confinement effects for the electronic and vibrational properties in 2D lead halide materials

Araujo, Rafael; Aboulsaad, Mustafa; Edvinsson, Tomas

2024

CoCrFeMnNi High-Entropy Alloys for Lithium-Mediated Electrochemical Nitrogen Reduction

Thyr, Jakob; Araujo, Rafael; Dürr, Robin; Pehlivan, Esat et al.

2023

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