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cond-mat.mtrl-sci2024
Adsorption of molecular hydrogen on honeycomb ZnO monolayers: A quantum density-functional theory perspective
Aliezer Martinez-Mesa, Llinersy Uranga-Pinna, Nadine Halberstadt +3
We investigate the adsorption of molecular hydrogen on pristine zinc oxide (ZnO) platelets. The volumetric and gravimetric hydrogen storage capacities of the ZnO monolayers are eva…
cond-mat.mtrl-sci2023
Giant Apparent Flexoelectricity in Semiconductors Driven by Insulator-to-metal Transition
Ya-Xun Wang, Jian-Gao Li, Gotthard Seifert +2
We elucidate the flexoelectricity of materials in the high strain gradient regime, of which the underlying mechanism is less understood. By using the generalized Bloch theorem, we…