Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...
Single-layer graphene, hosting a high density of functionalized molecular-sieving atom-thick pores, is considered to be an excellent material for gas separation membranes. These functionalized atom-thick pores enable the shortest transport pathway across t ...
Strain is inevitable in two-dimensional (2D) materials, regardless of whether the film is suspended or supported. However, the direct measurement of strain response at the atomic scale is challenging due to the difficulties of maintaining both flexibility ...
Molecular hydrogen adsorbed on graphene was investigated by analyzing rotational excitation spectra obtained with a gate-tunable scanning tunneling microscope (STM). Through the shift of the rotational excitation energy, the tunability of physisorbed H2 on ...
The electron self-interaction is a long-standing problem in density functional theory and is particularly critical in the description of polarons. Polarons are quasiparticles involving charge localization coupled with self-induced lattice distortions. Sinc ...
Nanostructured graphitic materials, including graphene hosting Å to nanometer-sized pores, have attracted attention for various applications such as separations, sensors, and energy storage. Graphene with Å-scale pores is a promising next-generation materi ...
Multi-channel GaN power device, consisting of stacking multiple two-dimensional-electron-gas (2DEG) channels, has been demonstrated to achieve unprecedented on-state performance while maintaining high breakdown voltage (VBR). However, the large carrier den ...
Institute of Electrical and Electronics Engineers2022
Modern solid-state devices were made possible by the discovery of semiconductor heterostructures. Heterostructures offer the ability to fabricate low-dimensional nanostructures such as quantum dots which can restrain carriers in all three-directions. Quant ...
Recent advances on low-dimensional and topological materials has greatly inspired the research in condensed matter physics. This thesis is devoted to the computational and theoretical study of topological effects in two-dimensional materials, especially na ...
We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped alpha-MnO2 using density-functional theory with extended Hubbard functionals. The onsite U and intersite V Hubbard parameters ar ...
