Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Kai-Wu Luo"'
Publikováno v:
Results in Physics, Vol 35, Iss , Pp 105396- (2022)
We present a density functional theory study on the electronic structures and magnetism of IIIA-nitride (AlN, GaN and InN) monolayer doped with Ag atoms. The results show that the IIIA-nitride binary compounds doped with low concentrations of Ag atom
Externí odkaz:
https://doaj.org/article/01653f63162246d1aa23df02a60fd35b
Autor:
Zongle Ma, Liang Xu, Kejun Dong, Tong Chen, S.X. Xiong, Bojun Peng, Jian Zeng, Shuaihao Tang, Haotian Li, Xin Huang, Kai-Wu Luo, Ling-Ling Wang
Publikováno v:
International Journal of Hydrogen Energy. 47:7202-7213
Publikováno v:
Surface Science. 734:122316
Autor:
Liang Xu, Zongle Ma, Yingbin Zhang, Jian Zeng, Cijun Shuai, Ling-Ling Wang, Kai-Wu Luo, Tong Chen, Quan Li, Bojun Peng
Publikováno v:
New Journal of Chemistry. 44:15439-15445
Exploring simple, efficient and low cost photocatalysts for hydrogen production driven by visible light is a hot topic in the field of photocatalysis. Here, we study a two-dimensional (2D) layered SiC/C2N van der Waals heterostructure as a possible v
Publikováno v:
Materials Chemistry and Physics. 216:64-71
Van der Waals coupling is emerging as a powerful method to engineer atomically-thin semiconductor materials, which leads to unusual properties and plays an increasingly key role in catalysis and solar energy conversion. The electronic properties of t
Publikováno v:
Journal of Materials Chemistry C. 5:4426-4434
First-principles calculations demonstrate that widely tunable direct and indirect band gaps can both be obtained in hBN/MoS2 vertical heterostructures, under a finite vertical electric field (E-field). In hBN/MoS2 bi- and multi-heterostructures, the
Autor:
Zhu Xiaojun, Shuhui Huang, Ling-Ling Wang, Kai-Wu Luo, Xin Luo, Quan Li, Bojun Peng, Zongle Ma, Jian Zeng, Liang Xu, Desheng Liu, Xiong Shixian, Cijun Shuai, Tong Chen
Publikováno v:
Applied Surface Science. 530:147181
Single-walled carbon nanotubes (SWCNTs) modified g-C3N4 nanocomposites have attracted extensive attention due to their good photocatalytic activity for water splitting in the visible region, but the theoretical research on the enhancement mechanism i
Publikováno v:
Computational Materials Science. 117:300-305
Using first-principles calculations, we investigate the electronic and magnetic properties of pristine and hydrogen-terminated zigzag GaN nanoribbons (ZGaNNRs). When the nitrogen edge of the ZGaNNRs is passivated, regardless of the gallium edge, the
Publikováno v:
Materials Science in Semiconductor Processing. 41:200-208
The doped cerium dioxide (CeO2) nanomaterials have attracted intensive attention due to its enhanced photocatalytic activity in the visible light region, but still lacking is the theoretical understanding on the mechanism of this behavior. Herein, th
Autor:
Quan Li, Wei-Qing Huang, Yabin Yu, Liang Xu, Ling-Ling Wang, Kai-Wu Luo, Xiao-Fei Li, Gui-Fang Huang
Publikováno v:
Physical Chemistry Chemical Physics. 18:33094-33102
Recent experiments have shown that the photocatalytic activity of g-C3N4 can be greatly enhanced by C60 modification, however, a fundamental understanding of its mechanistic operation is still lacking. Using first-principles calculations, the interfa