Ralph Gebauer

Permanent Scientific Staff
Senior Research Scientist
Ralph Gebauer
Condensed Matter and Statistical Physics
+39 040 2240 4344
rgebauer@ictp.it
+39 040 2240 4344
rgebauer@ictp.it
LB-224
Personal Web Page
0000-0002-7918-0790

Ralph Gebauer

Senior Research Scientist, Condensed Matter and Statistical Physics Section
Coordinator, Materials for Renewable Energy
Head, Office of Associates & Federated Institutes

BIOGRAPHY:

2006-present: Staff researcher at ICTP Trieste
2002-2006: Tenure-track researcher at ICTP Trieste
 

Publications

Journal article
2025
Acid–Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger’s Cat in Glutamine-Derived Crystals
The Journal of Physical Chemistry Letters (2025)
Muhammad Nawaz Qaisrani | Nandha Kumar | Christian Dreßler | Ralph Gebauer | Ali Hassanali
Journal article
2025
Bipolarons on dry and wet reduced rutile (110) surfaces: A constrained density functional theory study
Physical Review B (2025)
Yun-Bo Li | Da-Wei Deng | Wen-Jin Yin | Nicola Seriani | Ralph Gebauer
Journal article
2025
Computational Simulations and Strategies for Optimal Hydrogen Storage Materials Design
PRX Energy (2025)
Vikram Mahamiya | Alok Shukla | Abhishek Kumar Adak | Hoonkyung Lee | Nicola Seriani | Ralph Gebauer
Journal article
2024
Novel exciton behavior in low-dimensional polarized MoSSe/GaN heterostructures: A first-principles study
Physical Review Materials (2024)
Jifeng Luo | Dawei Deng | Qingxia Ge | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Journal article
2024
Disparity of carriers in polarized GaSe/WSSe heterostructures: A first-principles study
Physical Review Applied (2024)
Zhusen Zhang | Dawei Deng | Qing-Xia Ge | Zhen-Kun Tang | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Journal article
2024
Low-temperature catalytic methane deep oxidation over sol-gel derived mesoporous hausmannite (Mn3O4) spherical particles
ChemPhysMater (2024)
Patrick Ndouka Ndouka | Stephane Kenmoe | Jacques Richard Mache | Elie Acayanka | Dick Hartmann Douma | Ralph Gebauer | Patrick Mountapmbeme Kouotou
Journal article
2024
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
Journal of Chemical Theory and Computation (2024)
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Uriel N. Morzan | Michael A. Sentef | Ralph Gebauer | Ali Hassanali
Journal article
2024
Biaxial compressive strain enhances calcium binding and mobility on two-dimensional Sc2C: a density functional theory investigation
Physical Chemistry Chemical Physics (2024)
Darwin B. Putungan | Christian Loer T. Llemit | Alexandra B. Santos-Putungan | Roland V. Sarmago | Ralph Gebauer
Journal article
2024
How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3
Physical Chemistry Chemical Physics (2024)
Hua-Jian Tan | Rutong Si | Xi-Bo Li | Zhen-Kun Tang | Xiao-Lin Wei | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Journal article
2024
The Role of Water Molecules on Polaron Behavior at Rutile (110) Surface: A Constrained Density Functional Theory Study
The Journal of Physical Chemistry Letters (2024)
Yun-Bo Li | Rutong Si | Bo Wen | Xiao-Lin Wei | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Journal article
2023
The Oxygen Evolution Reaction at MoS2 Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular Simulations
Molecules (2023)
Estefania German | Ralph Gebauer
Journal article
2023
Investigation of the effect of thermal annealing of Ni-cobaltite nanoparticles on their structure, electronic properties and performance as catalysts for the total oxidation of dimethyl ether
Catalysis Science & Technology (2023)
Daniel Onana Mevoa | Stephane Kenmoe | Muhammad Waqas | Dick Hartmann Douma | Daniel Manhouli Daawe | Katia Nchimi Nono | Ralph Gebauer | Patrick Mountapmbeme Kouotou
Journal article
2023
Self-doped p–n junctions with high carrier concentration in 2D GaN/MoSSe heterostructures: a first-principles study
Journal of Materials Chemistry A (2023)
Dawei Deng | Rutong Si | Bo Wen | Nicola Seriani | Xiao-Lin Wei | Wen-Jin Yin | Ralph Gebauer
Journal article
2023
Oxygen Vacancies in Zirconia and Their Migration: The Role of Hubbard-U Parameters in Density Functional Theory
Crystals (2023)
Ralph Gebauer
Journal article
2022
Hematite surfaces: Band bending and local electronic states
Physical Review Materials (2022)
Ralph Gebauer | S. Rostami | N. Seriani | R. Gebauer
Journal article
2022
Oxygen vacancy suppress room temperature ferromagnetism of p-type Cu doped ZnO: Synthesis and density functional theory
Micro and Nanostructures (2022)
Ralph Gebauer | Hassan Ahmoum | Guojian Li | Mourad Boughrara | Ralph Gebauer | Mohd Sukor Su'ait | Karim Tanji | Mohamed Kerouad | Qiang Wang
Journal article
2021
Ab-initio, Monte Carlo and experimental investigation on structural, electronic and magnetic properties of Zn1-xNixO nanoparticles prepared via sol-gel method
Journal of Alloys and Compounds (2021)
Ahmoum, H. | Li, G. | Piao, Y. | Liu, S. | Gebauer, R. | Boughrara, M. | Su'ait, M.S. | Kerouad, M. | Wang, Q.
Journal article
2021
Sol-gel prepared Cu2ZnSnS4 (CZTS) semiconductor thin films: Role of solvent removal processing temperature
Materials Science in Semiconductor Processing (2021)
Ahmoum, H. | Chelvanathan, P. | Su'ait, M.S. | Boughrara, M. | Li, G. | Gebauer, R. | Sopian, K. | Kerouad, M. | Amin, N. | Wang, Q.
Journal article
2021
Ab-initio, Monte Carlo and experimental investigation on structural, electronic and magnetic properties of Zn<inf>1-x</inf>Ni<inf>x</inf>O nanoparticles prepared via sol-gel method
Journal of Alloys and Compounds (2021)
Ahmoum, H. | Li, G. | Piao, Y. | Liu, S. | Gebauer, R. | Boughrara, M. | Su'ait, M.S. | Kerouad, M. | Wang, Q.
Journal article
2021
Short hydrogen bonds enhance nonaromatic protein-related fluorescence
Proceedings of the National Academy of Sciences of the United States of America (2021)
Stephens, A.D. | Qaisrani, M.N. | Ruggiero, M.T. | Mirón, G.D. | Morzan, U.N. | González Lebrero, M.C. | Jones, S.T.E. | Poli, E. | Bond, A.D. | Woodhams, P.J. | Kleist, E.M. | Grisanti, L. | Gebauer, R. | Zeitler, J.A. ...
Journal article
2021
Sol-gel prepared Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) semiconductor thin films: Role of solvent removal processing temperature
Materials Science in Semiconductor Processing (2021)
Ahmoum, H. | Chelvanathan, P. | Su'ait, M.S. | Boughrara, M. | Li, G. | Gebauer, R. | Sopian, K. | Kerouad, M. | Amin, N. | Wang, Q.
Journal article
2021
Surface oxidation for enhancing the hydrogen evolution reaction of metal nitrides: A theoretical study on vanadium nitride
Materials Advances (2021)
Adimi, S. | Qi, W. | Thomas, T. | Gebauer, R. | Yang, M. | Ruan, S.
Journal article
2021
Accurate and flexible neural-network interatomic potential for mixed materials: TixZr1−xO2 from bulk to clusters and nanoparticles
Physical Review Materials (2021)
S. Rostami | N. Seriani | S. A. Ghasemi | R. Gebauer
Journal article
2020
DFT insights into electrocatalytic CO2 reduction to methanol on α-Fe2O3(0001) surfaces
Physical Chemistry Chemical Physics (2020)
Kumar, N. | Seriani, N. | Gebauer, R.
Journal article
2020
Heterostructures of ϵ-Fe2O3and α-Fe2O3: Insights from density functional theory
RSC Advances (2020)
Ahamed, I. | Seriani, N. | Gebauer, R. | Kashyap, A.
Journal article
2020
Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction?
Applied Surface Science (2020)
German, E. | Gebauer, R.
Journal article
2020
DFT insights into electrocatalytic CO<inf>2</inf> reduction to methanol on α-Fe<inf>2</inf>O<inf>3</inf>(0001) surfaces
Physical Chemistry Chemical Physics (2020)
Kumar, N. | Seriani, N. | Gebauer, R.
Journal article
2020
Heterostructures of ϵ-Fe<inf>2</inf>O<inf>3</inf>and α-Fe<inf>2</inf>O<inf>3</inf>: Insights from density functional theory
RSC Advances (2020)
Ahamed, I. | Seriani, N. | Gebauer, R. | Kashyap, A.
Journal article
2020
Why are MoS<inf>2</inf> monolayers not a good catalyst for the oxygen evolution reaction?
Applied Surface Science (2020)
German, E. | Gebauer, R.
Journal article
2020
The oxygen evolution reaction in hematite - Carbon nanotube composites: Insights from density functional theory
Computational Condensed Matter (2020)
Lodvert Tchibota Poaty | Bernard M’Passi-Mabiala | Ralph Gebauer

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