308 citations · 706 across the 18 of their papers we have counts for
18 papers
Unveiling two-dimensional electron systems on ultra-wide bandgap semiconductor -GaO
Ryu Yukawa, Hiroshi Mizuseki, Suryo Santoso Putro +26
Ultra-wide bandgap (UWBG) semiconductors promise to revolutionize power electronics, yet a fundamental understanding of their interfacial electronic structure has been hindered by…
Computational Search for Two-Dimensional Photocatalysts
Vei Wang, Gang Tang, Ya-Chao Liu +4
To overcome current serious energy and environmental issues, photocatalytic water splitting holds great promise because it requires only solar energy as an energy input to produce…
Order-Disorder Competitive Cooperation in Equiatomic 3d-Transition-Metal Quaternary Alloys: Phase Stability and Electronic Structure
Hiroshi Mizuseki, Ryoji Sahara, Kenta Hongo
We use high-throughput first-principles sampling to investigate competitive factors that determine the crystal structure of high-entropy alloys (HEAs) and the energetics dependence…
High-Throughput Computational Screening of Two-Dimensional Semiconductors
Vei Wang, Gang Tang, Ren-Tao Wang +5
By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two…
New carbon allotropes in sp + sp bonding networks consisting of C cubes
Jian-Tao Wang, Changfeng Chen, Hiroshi Mizuseki +1
We identify by ab initio calculations a new type of three-dimensional carbon allotropes constructed by inserting acetylenic or diacetylenic bonds into a body-centered cubic C l…
Roles of oxygen vacancies on ferromagnetism in Ni doped In2O3: A hybrid functional study
V. Wang, C. -Y. You, H. -P. He +3
The roles of oxygen vacancies on the electronic and magnetic properties of Ni doped InO have been studied by first-principles calculations based on hybrid functional theory…