Ralph Scheicher
Researcher at Department of Physics and Astronomy; Materials Theory
- Mobile phone:
- +46 70 859 35 18
- E-mail:
- ralph.scheicher@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Regementsvägen 10
752 37 Uppsala - Postal address:
- Box 524
751 20 UPPSALA
- CV:
- Download CV
- ORCID:
- 0000-0001-5397-7753
Short presentation
Research Interests: studying nano-bio systems as well as metal hydrides using methods from the field of computational materials science. Focusing on nanopore-based sequencing of DNA and proteins and on hydrogen storage. Also part of the Biophysics Network within the faculty. - For more, please see Ralph Scheicher's homepage.
Keywords
- computational materials science
- density functional theory
- molecular dynamics
- nanopore
- metal hydrides
Biography
Current position: Researcher, 07/2015 - present, Division of Materials Theory, Department of Physics and Astronomy, Uppsala University
Previous positions: Assistant Professor (Forskarassistent), 07/2010 – 06/2015, Division of Materials Theory, Department of Physics and Astronomy, Uppsala University; Gästforskare (Visiting Researcher), 10/2007 – 06/2010, Department of Physics and Materials Science, Uppsala University; Visiting Assistant Professor, 10/2005 – 09/2007, Department of Physics, Michigan Technological University, Houghton, MI, U.S.A.; Postdoc, 08/2004 – 09/2005; Teaching Assistant, 01/2000 – 05/2004, Department of Physics, State University of New York at Albany, Albany, NY, U.S.A.; Research Assistant, 10/1999 – 01/2000, jointly between KEK, High Energy Accelerator Research Organization, Tsukuba, Ibaraki, and RIKEN, Wako-shi, Japan
Research
We focus on atomistic modelling of materials which can be broadly categorized into two subject areas: nanobiotechnology and amorphous solids. In the first area, the primary goal is to computationally design and explore nano-architectures that allow for new physical approaches to probe biological molecules. One of the main applications that motivates our studies is the possibility to use nanopores for sequencing DNA or studying proteins. - Regarding the second area, we are carrying out research on a challenging class of non-crystalline materials known as amorphous solids or glasses. Among other aspects, we are interested in how the diffusivity of hydrogen can be controlled by synthesizing specific compositions in the amorphous phase.
Media
Online seminar about nano-devices for DNA sequencing: link to video

Publications
Selection of publications
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Part of Nanoscale, p. 2498-2505, 2025
- DOI for Detection and distinction of amino acids and post-translational modifications with gold nanojunctions
- Download full text (pdf) of Detection and distinction of amino acids and post-translational modifications with gold nanojunctions
-
Computational simulation of graphene/h-BN nanopores for single-molecule herbicide sensing
Part of Nanotechnology, 2025
- DOI for Computational simulation of graphene/h-BN nanopores for single-molecule herbicide sensing
- Download full text (pdf) of Computational simulation of graphene/h-BN nanopores for single-molecule herbicide sensing
-
Influence of hydrogen on the electronic structure in the transition metallic glass V80Zr20
Part of Physical Review B, 2025
- DOI for Influence of hydrogen on the electronic structure in the transition metallic glass V80Zr20
- Download full text (pdf) of Influence of hydrogen on the electronic structure in the transition metallic glass V80Zr20
-
A high density nanopore 3-triangulene kagome lattice
Part of Nanoscale, p. 9911-9916, 2024
- DOI for A high density nanopore 3-triangulene kagome lattice
- Download full text (pdf) of A high density nanopore 3-triangulene kagome lattice
-
Part of Scientific Reports, 2023
- DOI for Unveiling the local structure of the amorphous metal Fe(1−x)Zrx combining first-principles-based simulations and modelling of EXAFS spectra
- Download full text (pdf) of Unveiling the local structure of the amorphous metal Fe(1−x)Zrx combining first-principles-based simulations and modelling of EXAFS spectra
-
Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses
Part of Materialia, 2022
- DOI for Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses
- Download full text (pdf) of Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses
-
Part of Physical Review B, 2022
- DOI for Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass
- Download full text (pdf) of Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass
-
Part of ACS Nanoscience Au, p. 119-127, 2022
- DOI for Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing: A Computational Study
- Download full text (pdf) of Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing: A Computational Study
-
Part of Nano Reseach, p. 9843-9849, 2022
- DOI for Single-molecule DNA sequencing using two-dimensional Ti2C(OH)(2) MXene nanopores: A first-principles investigation
- Download full text (pdf) of Single-molecule DNA sequencing using two-dimensional Ti2C(OH)(2) MXene nanopores: A first-principles investigation
-
Part of Physical Chemistry, Chemical Physics - PCCP, p. 24404-24412, 2022
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Threshold switching memristor-based stochastic neurons for probabilistic computing
Part of Materials Horizons, p. 619-629, 2021
-
Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
Part of Nanoscale, p. 18289-18295, 2020
- DOI for Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
- Download full text (pdf) of Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
-
Part of Carbon, p. 314-319, 2020
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Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
Part of Molecules, 2019
- DOI for Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
- Download full text (pdf) of Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
-
Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA
Part of Physical Chemistry, Chemical Physics - PCCP, p. 24884-24890, 2019
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Part of Nano letters (Print), p. 4279-4286, 2019
-
Part of RSC Advances, p. 6527-6531, 2018
- DOI for Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces
- Download full text (pdf) of Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces
-
Zero-Depth Interfacial Nanopore Capillaries
Part of Advanced Materials, 2018
- DOI for Zero-Depth Interfacial Nanopore Capillaries
- Download full text (pdf) of Zero-Depth Interfacial Nanopore Capillaries
-
Topological Line Defects Around Graphene Nanopores for DNA Sequencing
Part of The Journal of Physical Chemistry C, p. 7094-7099, 2018
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Topological line defects in graphene for applications in gas sensing
Part of Carbon, p. 803-808, 2018
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Part of Journal of Physical Chemistry B, p. 485-492, 2018
-
On Monolayer Formation of Pyrenebutyric Acid on Graphene
Part of Langmuir, p. 3588-3593, 2017
- DOI for On Monolayer Formation of Pyrenebutyric Acid on Graphene
- Download full text (pdf) of On Monolayer Formation of Pyrenebutyric Acid on Graphene
-
Part of RSC Advances, p. 43064-43072, 2017
- DOI for Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors
- Download full text (pdf) of Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors
-
The influence of site occupancy on diffusion of hydrogen in vanadium
Part of Physical Review B, 2017
-
Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet
Part of Nanoscale, p. 2207-2212, 2017
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Part of ACS Sensors, p. 807-816, 2016
-
Part of RSC Advances, p. 6702-6708, 2016
-
Part of Nanoscale, p. 10105-10112, 2016
-
Electronic Transport along Hybrid MoS2 Monolayers
Part of The Journal of Physical Chemistry C, p. 23389-23396, 2016
-
Boosting DNA Recognition Sensitivity of Graphene Nanogaps through Nitrogen Edge Functionalization
Part of The Journal of Physical Chemistry C, p. 19384-19388, 2016
-
On nanopore DNA sequencing by signal and noise analysis of ionic current
Part of Nanotechnology, 2016
- DOI for On nanopore DNA sequencing by signal and noise analysis of ionic current
- Download full text (pdf) of On nanopore DNA sequencing by signal and noise analysis of ionic current
-
Hydrogenation induced structure and property changes in GdGa
Part of Journal of Solid State Chemistry, p. 184-191, 2016
-
Part of Inorganic Chemistry, p. 345-352, 2016
-
Benchmark investigation of diamondoid-functionalized electrodes for nanopore DNA sequencing
Part of Nanotechnology, 2016
-
Nano-structured interface of graphene and h-BN for sensing applications
Part of Nanotechnology, 2016
-
Part of Scientific Reports, 2015
- DOI for Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene
- Download full text (pdf) of Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene
-
Part of Scientific Reports, 2015
- DOI for Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations
- Download full text (pdf) of Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations
-
Silicene as a new potential DNA sequencing device
Part of Nanotechnology, 2015
-
Highly Sensitive and Selective Gas Detection Based on Silicene
Part of The Journal of Physical Chemistry C, p. 16934-16940, 2015
-
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
-
Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore
Part of Physical Review Applied, 2015
-
Electronic transport in graphene-based heterostructures
Part of Abstracts of Papers of the American Chemical Society, 2013
-
Thermophoretic Manipulation of DNA Translocation through Nanopores
Part of ACS Nano, p. 538-546, 2013
-
Part of The Journal of Physical Chemistry C, p. 4309-4313, 2013
-
Physisorption of DNA Nucleobases on h-BN and Graphene: vdW-Corrected DFT Calculations
Part of The Journal of Physical Chemistry C, p. 13435-13441, 2013
-
Hydrogen storage properties of the pseudo binary Laves phase (Sc1-xZrx)(Co1-yNiy)2 system
Part of International journal of hydrogen energy, p. 9772-9778, 2013
-
Part of Biophysical Journal, p. 776-782, 2013
-
Part of The Journal of Physical Chemistry C, p. 15421-15428, 2013
-
First-principles investigation of Li ion diffusion in Li2FeSiO4
Part of Solid State Ionics, p. 8-14, 2013
-
Lithium transport investigation in LixFeSiO4: A promising cathode material
Part of Solid State Communications, p. 9-13, 2013
-
Excellent Catalytic Effects of Graphene Nanofibers on Hydrogen Release of Sodium alanate
Part of The Journal of Physical Chemistry C, p. 10861-10866, 2012
-
Li-Na ternary amidoborane for hydrogen storage: experimental and first-principles study
Part of Dalton Transactions, p. 4754-4764, 2012
-
Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing
Part of Applied Physics Letters, 2012
-
Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
Part of Applied Physics Letters, p. 201902, 2012
- DOI for Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
- Download full text (pdf) of Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
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DNA sequencing with nanopores from an ab initio perspective
Part of Journal of Materials Science, p. 7439-7446, 2012
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Part of Applied Magnetic Resonance, p. 591-617, 2012
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Part of Nanoscale, p. 5490-5498, 2012
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Applications of the Cluster Method for Biological Systems
Part of Nanoclusters, p. 71-150, Elsevier, 2011
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Sensitivity of Boron Nitride Nanotubes toward Biomolecules of Different Polarities
Part of The Journal of Physical Chemistry Letters, p. 2442-2447, 2011
-
Theoretical study of C60 as catalyst for dehydrogenation in LiBH4
Part of Nanotechnology, 2011
-
Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles
Part of Nano letters (Print), p. 1941-1945, 2011
-
Ab initio study of lithium-doped graphane for hydrogen storage
Part of Europhysics letters, p. 27013, 2011
-
Part of International journal of hydrogen energy, p. 555-562, 2011
-
Enhanced DNA Sequencing Performance Through Edge-Hydrogenation of Graphene Electrodes
Part of Advanced Functional Materials, p. 2674-2679, 2011
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Part of Physical Review Letters, p. 117002, 2011
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Transport properties of nucleotides in a graphene nanogap for DNA sequencing
Part of ElecMol’10 5th International Meeting on Molecular Electronics December 6-10, 2010, p. 86-86, 2010
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Part of The Journal of Physical Chemistry C, p. 19089-19095, 2010
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Li+ ion conductivity and diffusion mechanism in α-Li3N and β-Li3N
Part of Energy & environmental science, p. 1524-1530, 2010
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Hydrogen as promoter and inhibitor of superionicity: A case study on Li-N-H systems
Part of Physical Review B. Condensed Matter and Materials Physics, 2010
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Part of Applied Physics Letters, 2010
- DOI for Differential conductance as a promising approach for rapid DNA sequencing with nanopore-embedded electrodes
- Download full text (pdf) of Differential conductance as a promising approach for rapid DNA sequencing with nanopore-embedded electrodes
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Part of Physical Review B. Condensed Matter and Materials Physics, p. 125439, 2010
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General trend for pressurized superconducting hydrogen-dense materials
Part of Proceedings of the National Academy of Sciences of the United States of America, p. 2793-2796, 2010
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Part of Nanotechnology, p. 165703, 2010
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DNA sequencing with nanopore-embedded bilayer-graphene nanoelectrodes
Part of ICSICT-2010 - 2010 10th IEEE International Conference on Solid-State and Integrated Circuit Technology, Proceedings, p. 1483-1485, 2010
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Fast DNA sequencing via transverse differential conductance
p. 313-316, 2010
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Carbon nanomaterials as catalysts for hydrogen uptake and release in NaAlH4
Part of Nano letters (Print), p. 1501-1505, 2009
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Potassium-modified Mg(NH2)2/2 LiH system for hydrogen storage
Part of Angewandte Chemie International Edition, p. 5828-5832, 2009
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Ab Initio Study of Molecular Hydrogen Adsorption in Covalent Organic Framework-1
Part of The Journal of Physical Chemistry C, p. 8498-8504, 2009
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Part of Physical Review B. Condensed Matter and Materials Physics, p. 132102, 2009
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Stability of ferromagnetic phase in Fe-doped AlH3
Part of Europhysics letters, p. 67006, 2009
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Superionicity in the hydrogen storage material Li2NH: Molecular dynamics simulations
Part of Physical Review B. Condensed Matter and Materials Physics, p. 172101, 2009
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Part of Physical Review Letters, 2009
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Cubic metallic phase of aluminum hydride showing improved hydrogen desorption
Part of Applied Physics Letters, p. 201903, 2008
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Thermodynamic analysis of hydrogen sorption reactions in Li-Mg-N-H systems
Part of Applied Physics Letters, 2008
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Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory
Part of Proceedings of the National Academy of Sciences of the United States of America, p. 16454-16459, 2008
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Part of Physical Review B. Condensed Matter and Materials Physics, p. 100102, 2008
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Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level
Part of Hyperfine Interactions, p. 81-86, 2008
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A comparative investigation of H-2 adsorption strength in Cd- and Zn-based metal organic framework-5
Part of Journal of Chemical Physics, p. 164104-164104-5, 2008
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Part of Hyperfine Interactions, p. 75-80, 2008
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Functionalized Nanopore-Embedded Electrodes for Rapid DNA Sequencing
Part of The Journal of Physical Chemistry C, p. 3456-3459, 2008
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Part of Journal of Physical Chemistry A, p. 5323-5326, 2008
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First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes
Part of Nanotechnology, p. 125701, 2008
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Binding strength of sodium ions in cellulose for different water contents
Part of Journal of Physical Chemistry B, p. 8985-8989, 2008
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On the structural and energetic properties of the hydrogen absorber Li2Mg(NH)2
Part of Applied Physics Letters, 2007
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Part of Hyperfine Interactions, p. 51-56, 2007
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Nuclear quadrupole interactions and electronic structure of BF3 center dot H2O complex
Part of Hyperfine Interactions, p. 45-50, 2007
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Part of Hyperfine Interactions, p. 15-20, 2007
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Part of Hyperfine Interactions, p. 39-44, 2007
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Part of Hyperfine Interactions, p. 51-57, 2007
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Physisorption of nucleobases on graphene: Density-functional calculations
Part of Physical Review B. Condensed Matter and Materials Physics, 2007
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A comparative investigation of H2 interaction in Cd- and Zn-based Metal Organic Framework-5
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Structural transition in lithium imide triggered by melting of cation sublattice
Part of Phys. Rev. Lett.
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High-Temperature Superconductivity in the Hydrogen-Dense Transition Metal Hydride YH3
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Li+ and H+ Diffusions in Lithium Amide and Hydride: A first-principles study
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Hydrogen Absorption in Rare-Earth-Gallide Zintl-Phases LnGa (Ln=Nd, Gd)
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Recent publications
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Part of Journal of Energy Storage, 2026
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First-Principles Study of Ti2NbC2T2 (T = F, O) MXene for Inhibiting Shuttle Effect in Na–S Batteries
Part of The Journal of Physical Chemistry C, p. 10085-10093, 2026
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Structural and mechanical signatures of maximally amorphous transition metal alloys
Part of Physical Review Materials, 2026
- DOI for Structural and mechanical signatures of maximally amorphous transition metal alloys
- Download full text (pdf) of Structural and mechanical signatures of maximally amorphous transition metal alloys
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Part of Journal of Power Sources, 2026
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Part of Nanoscale, p. 26935-26941, 2025
- DOI for Detection of post-translational modification in a peptide with single-amino acid resolution using a graphyne nanopore: findings from molecular dynamics simulations
- Download full text (pdf) of Detection of post-translational modification in a peptide with single-amino acid resolution using a graphyne nanopore: findings from molecular dynamics simulations
All publications
Articles in journal
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Part of Journal of Energy Storage, 2026
-
First-Principles Study of Ti2NbC2T2 (T = F, O) MXene for Inhibiting Shuttle Effect in Na–S Batteries
Part of The Journal of Physical Chemistry C, p. 10085-10093, 2026
-
Structural and mechanical signatures of maximally amorphous transition metal alloys
Part of Physical Review Materials, 2026
- DOI for Structural and mechanical signatures of maximally amorphous transition metal alloys
- Download full text (pdf) of Structural and mechanical signatures of maximally amorphous transition metal alloys
-
Part of Journal of Power Sources, 2026
-
Part of Nanoscale, p. 26935-26941, 2025
- DOI for Detection of post-translational modification in a peptide with single-amino acid resolution using a graphyne nanopore: findings from molecular dynamics simulations
- Download full text (pdf) of Detection of post-translational modification in a peptide with single-amino acid resolution using a graphyne nanopore: findings from molecular dynamics simulations
-
Part of Nanoscale, p. 2498-2505, 2025
- DOI for Detection and distinction of amino acids and post-translational modifications with gold nanojunctions
- Download full text (pdf) of Detection and distinction of amino acids and post-translational modifications with gold nanojunctions
-
Computational simulation of graphene/h-BN nanopores for single-molecule herbicide sensing
Part of Nanotechnology, 2025
- DOI for Computational simulation of graphene/h-BN nanopores for single-molecule herbicide sensing
- Download full text (pdf) of Computational simulation of graphene/h-BN nanopores for single-molecule herbicide sensing
-
Influence of hydrogen on the electronic structure in the transition metallic glass V80Zr20
Part of Physical Review B, 2025
- DOI for Influence of hydrogen on the electronic structure in the transition metallic glass V80Zr20
- Download full text (pdf) of Influence of hydrogen on the electronic structure in the transition metallic glass V80Zr20
-
A high density nanopore 3-triangulene kagome lattice
Part of Nanoscale, p. 9911-9916, 2024
- DOI for A high density nanopore 3-triangulene kagome lattice
- Download full text (pdf) of A high density nanopore 3-triangulene kagome lattice
-
Part of Scientific Reports, 2023
- DOI for Unveiling the local structure of the amorphous metal Fe(1−x)Zrx combining first-principles-based simulations and modelling of EXAFS spectra
- Download full text (pdf) of Unveiling the local structure of the amorphous metal Fe(1−x)Zrx combining first-principles-based simulations and modelling of EXAFS spectra
-
Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses
Part of Materialia, 2022
- DOI for Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses
- Download full text (pdf) of Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses
-
Part of Physical Review B, 2022
- DOI for Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass
- Download full text (pdf) of Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass
-
Part of ACS Nanoscience Au, p. 119-127, 2022
- DOI for Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing: A Computational Study
- Download full text (pdf) of Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing: A Computational Study
-
Part of Nano Reseach, p. 9843-9849, 2022
- DOI for Single-molecule DNA sequencing using two-dimensional Ti2C(OH)(2) MXene nanopores: A first-principles investigation
- Download full text (pdf) of Single-molecule DNA sequencing using two-dimensional Ti2C(OH)(2) MXene nanopores: A first-principles investigation
-
Part of Physical Chemistry, Chemical Physics - PCCP, p. 24404-24412, 2022
-
Threshold switching memristor-based stochastic neurons for probabilistic computing
Part of Materials Horizons, p. 619-629, 2021
-
Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
Part of Nanoscale, p. 18289-18295, 2020
- DOI for Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
- Download full text (pdf) of Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
-
Part of Carbon, p. 314-319, 2020
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Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
Part of Molecules, 2019
- DOI for Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
- Download full text (pdf) of Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
-
Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA
Part of Physical Chemistry, Chemical Physics - PCCP, p. 24884-24890, 2019
-
Part of Nano letters (Print), p. 4279-4286, 2019
-
Part of RSC Advances, p. 6527-6531, 2018
- DOI for Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces
- Download full text (pdf) of Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces
-
Zero-Depth Interfacial Nanopore Capillaries
Part of Advanced Materials, 2018
- DOI for Zero-Depth Interfacial Nanopore Capillaries
- Download full text (pdf) of Zero-Depth Interfacial Nanopore Capillaries
-
Topological Line Defects Around Graphene Nanopores for DNA Sequencing
Part of The Journal of Physical Chemistry C, p. 7094-7099, 2018
-
Topological line defects in graphene for applications in gas sensing
Part of Carbon, p. 803-808, 2018
-
Part of Journal of Physical Chemistry B, p. 485-492, 2018
-
On Monolayer Formation of Pyrenebutyric Acid on Graphene
Part of Langmuir, p. 3588-3593, 2017
- DOI for On Monolayer Formation of Pyrenebutyric Acid on Graphene
- Download full text (pdf) of On Monolayer Formation of Pyrenebutyric Acid on Graphene
-
Part of RSC Advances, p. 43064-43072, 2017
- DOI for Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors
- Download full text (pdf) of Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors
-
Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet
Part of Nanoscale, p. 2207-2212, 2017
-
Part of ACS Sensors, p. 807-816, 2016
-
Part of RSC Advances, p. 6702-6708, 2016
-
Part of Nanoscale, p. 10105-10112, 2016
-
Electronic Transport along Hybrid MoS2 Monolayers
Part of The Journal of Physical Chemistry C, p. 23389-23396, 2016
-
Boosting DNA Recognition Sensitivity of Graphene Nanogaps through Nitrogen Edge Functionalization
Part of The Journal of Physical Chemistry C, p. 19384-19388, 2016
-
On nanopore DNA sequencing by signal and noise analysis of ionic current
Part of Nanotechnology, 2016
- DOI for On nanopore DNA sequencing by signal and noise analysis of ionic current
- Download full text (pdf) of On nanopore DNA sequencing by signal and noise analysis of ionic current
-
Hydrogenation induced structure and property changes in GdGa
Part of Journal of Solid State Chemistry, p. 184-191, 2016
-
Part of Inorganic Chemistry, p. 345-352, 2016
-
Benchmark investigation of diamondoid-functionalized electrodes for nanopore DNA sequencing
Part of Nanotechnology, 2016
-
Nano-structured interface of graphene and h-BN for sensing applications
Part of Nanotechnology, 2016
-
Part of Scientific Reports, 2015
- DOI for Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene
- Download full text (pdf) of Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene
-
Part of Scientific Reports, 2015
- DOI for Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations
- Download full text (pdf) of Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations
-
Silicene as a new potential DNA sequencing device
Part of Nanotechnology, 2015
-
Highly Sensitive and Selective Gas Detection Based on Silicene
Part of The Journal of Physical Chemistry C, p. 16934-16940, 2015
-
Part of Physical Review B. Condensed Matter and Materials Physics, 2015
-
Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore
Part of Physical Review Applied, 2015
-
Electronic transport in graphene-based heterostructures
Part of Abstracts of Papers of the American Chemical Society, 2013
-
Thermophoretic Manipulation of DNA Translocation through Nanopores
Part of ACS Nano, p. 538-546, 2013
-
Part of The Journal of Physical Chemistry C, p. 4309-4313, 2013
-
Physisorption of DNA Nucleobases on h-BN and Graphene: vdW-Corrected DFT Calculations
Part of The Journal of Physical Chemistry C, p. 13435-13441, 2013
-
Hydrogen storage properties of the pseudo binary Laves phase (Sc1-xZrx)(Co1-yNiy)2 system
Part of International journal of hydrogen energy, p. 9772-9778, 2013
-
Part of Biophysical Journal, p. 776-782, 2013
-
Part of The Journal of Physical Chemistry C, p. 15421-15428, 2013
-
First-principles investigation of Li ion diffusion in Li2FeSiO4
Part of Solid State Ionics, p. 8-14, 2013
-
Lithium transport investigation in LixFeSiO4: A promising cathode material
Part of Solid State Communications, p. 9-13, 2013
-
Excellent Catalytic Effects of Graphene Nanofibers on Hydrogen Release of Sodium alanate
Part of The Journal of Physical Chemistry C, p. 10861-10866, 2012
-
Li-Na ternary amidoborane for hydrogen storage: experimental and first-principles study
Part of Dalton Transactions, p. 4754-4764, 2012
-
Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing
Part of Applied Physics Letters, 2012
-
Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
Part of Applied Physics Letters, p. 201902, 2012
- DOI for Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
- Download full text (pdf) of Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations
-
Part of Applied Magnetic Resonance, p. 591-617, 2012
-
Part of Nanoscale, p. 5490-5498, 2012
-
Sensitivity of Boron Nitride Nanotubes toward Biomolecules of Different Polarities
Part of The Journal of Physical Chemistry Letters, p. 2442-2447, 2011
-
Theoretical study of C60 as catalyst for dehydrogenation in LiBH4
Part of Nanotechnology, 2011
-
Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles
Part of Nano letters (Print), p. 1941-1945, 2011
-
Ab initio study of lithium-doped graphane for hydrogen storage
Part of Europhysics letters, p. 27013, 2011
-
Part of International journal of hydrogen energy, p. 555-562, 2011
-
Enhanced DNA Sequencing Performance Through Edge-Hydrogenation of Graphene Electrodes
Part of Advanced Functional Materials, p. 2674-2679, 2011
-
Part of Physical Review Letters, p. 117002, 2011
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Part of The Journal of Physical Chemistry C, p. 19089-19095, 2010
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Li+ ion conductivity and diffusion mechanism in α-Li3N and β-Li3N
Part of Energy & environmental science, p. 1524-1530, 2010
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Hydrogen as promoter and inhibitor of superionicity: A case study on Li-N-H systems
Part of Physical Review B. Condensed Matter and Materials Physics, 2010
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Part of Applied Physics Letters, 2010
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Part of Physical Review B. Condensed Matter and Materials Physics, p. 125439, 2010
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General trend for pressurized superconducting hydrogen-dense materials
Part of Proceedings of the National Academy of Sciences of the United States of America, p. 2793-2796, 2010
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Part of Nanotechnology, p. 165703, 2010
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DNA sequencing with nanopore-embedded bilayer-graphene nanoelectrodes
Part of ICSICT-2010 - 2010 10th IEEE International Conference on Solid-State and Integrated Circuit Technology, Proceedings, p. 1483-1485, 2010
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Carbon nanomaterials as catalysts for hydrogen uptake and release in NaAlH4
Part of Nano letters (Print), p. 1501-1505, 2009
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Potassium-modified Mg(NH2)2/2 LiH system for hydrogen storage
Part of Angewandte Chemie International Edition, p. 5828-5832, 2009
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Ab Initio Study of Molecular Hydrogen Adsorption in Covalent Organic Framework-1
Part of The Journal of Physical Chemistry C, p. 8498-8504, 2009
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Part of Physical Review B. Condensed Matter and Materials Physics, p. 132102, 2009
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Stability of ferromagnetic phase in Fe-doped AlH3
Part of Europhysics letters, p. 67006, 2009
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Superionicity in the hydrogen storage material Li2NH: Molecular dynamics simulations
Part of Physical Review B. Condensed Matter and Materials Physics, p. 172101, 2009
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Part of Physical Review Letters, 2009
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Cubic metallic phase of aluminum hydride showing improved hydrogen desorption
Part of Applied Physics Letters, p. 201903, 2008
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Thermodynamic analysis of hydrogen sorption reactions in Li-Mg-N-H systems
Part of Applied Physics Letters, 2008
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Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory
Part of Proceedings of the National Academy of Sciences of the United States of America, p. 16454-16459, 2008
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Part of Physical Review B. Condensed Matter and Materials Physics, p. 100102, 2008
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Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level
Part of Hyperfine Interactions, p. 81-86, 2008
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A comparative investigation of H-2 adsorption strength in Cd- and Zn-based metal organic framework-5
Part of Journal of Chemical Physics, p. 164104-164104-5, 2008
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Part of Hyperfine Interactions, p. 75-80, 2008
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Functionalized Nanopore-Embedded Electrodes for Rapid DNA Sequencing
Part of The Journal of Physical Chemistry C, p. 3456-3459, 2008
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Part of Journal of Physical Chemistry A, p. 5323-5326, 2008
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First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes
Part of Nanotechnology, p. 125701, 2008
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Binding strength of sodium ions in cellulose for different water contents
Part of Journal of Physical Chemistry B, p. 8985-8989, 2008
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On the structural and energetic properties of the hydrogen absorber Li2Mg(NH)2
Part of Applied Physics Letters, 2007
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Part of Hyperfine Interactions, p. 51-56, 2007
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Nuclear quadrupole interactions and electronic structure of BF3 center dot H2O complex
Part of Hyperfine Interactions, p. 45-50, 2007
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Part of Hyperfine Interactions, p. 15-20, 2007
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Part of Hyperfine Interactions, p. 39-44, 2007
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Part of Hyperfine Interactions, p. 51-57, 2007
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Physisorption of nucleobases on graphene: Density-functional calculations
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Structural transition in lithium imide triggered by melting of cation sublattice
Part of Phys. Rev. Lett.
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High-Temperature Superconductivity in the Hydrogen-Dense Transition Metal Hydride YH3
Articles, review/survey
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The influence of site occupancy on diffusion of hydrogen in vanadium
Part of Physical Review B, 2017
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DNA sequencing with nanopores from an ab initio perspective
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Chapters in book
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Applications of the Cluster Method for Biological Systems
Part of Nanoclusters, p. 71-150, Elsevier, 2011
Conference papers
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Transport properties of nucleotides in a graphene nanogap for DNA sequencing
Part of ElecMol’10 5th International Meeting on Molecular Electronics December 6-10, 2010, p. 86-86, 2010
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Fast DNA sequencing via transverse differential conductance
p. 313-316, 2010