Computational Physics · Physics
Boron adatom adsorption on graphene: A case study in computational chemistry methods for surface interactions
S. Jubin, A. Rau, Y. Barsukov, S. Ethier +1
2024-01-08
Materials Science · Physics
Synthesis, Structure and Properties of Boron and Nitrogen Doped Graphene
L. S. Panchakarla, K. S. Subrahmanyam, S. K. Saha, A. Govindaraj +3
2009-02-19
Materials Science · Physics
Growth and Electronic Structure of Boron-Doped Graphene
J. Gebhardt, R. J. Koch, W. Zhao, O. Höfert +6
2016-11-26
Materials Science · Physics
Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
D. W. Boukhvalov, M. I. Katsnelson, A. I. Lichtenstein
2008-01-24
Materials Science · Physics
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
Yasmine S. Al-Hamdani, Andrea Zen, Angelos Michaelides, Dario Alfè
2025-01-14
Materials Science · Physics
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study
O. Leenaerts, B. Partoens, F. M. Peeters
2009-11-13
Materials Science · Physics
Boron-doped graphene -- DFT study of the role of dopant concentration and oxidation on sodium and aluminium storage applications
Milica S. Ritopečki, Natalia V. Skorodumova, Ana S. Dobrota, Igor A. Pašti
2023-07-07
Materials Science · Physics
Understanding adsorption of hydrogen atoms on graphene
Simone Casolo, Ole Martin Lovvik, Rocco Martinazzo, Gian Franco Tantardini
2009-11-13
Chemical Physics · Physics
Geometric and electronic properties of graphene-related systems: Chemical bondings
Ngoc Thanh Thuy Tran, Shih-Yang Lin, Chiun-Yan Lin, Ming-Fa Lin
2017-02-14
Materials Science · Physics
Adsorption of Sugars on Al- and Ga-doped Boron Nitride Surfaces: A Computational Study
Ahmed A. Darwish, Mohamed M. Fadlallah, Ashraf Badawi, Ahmed A. Maarouf
2016-05-04