4 papers
Bond Relaxation and Electronic Properties of Two-Dimensional Sb/MoSe2 and Sb/MoTe2 Van der Waals Heterostructures
Maolin Bo, Hanze Li, Zhongkai Huang +2
Van der Waals heterostructures have recently garnered interest for application in high-performance photovoltaic materials. Consequently, understanding the basic electronic characte…
DFT-based energy shifts screening of NaK alloy clusters
Jing Zhao, Maolin Bo
Compositional effects in NaK alloy clusters have been studied using bond order length strength notation and density functional theory calculations. The results reveal binding energ…
Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface
Maolin Bo, Li Lei, Chuang Yao +3
We investigated the bond, electronic and magnetic behavior of adsorption Yttrium atoms on Lithium (110) surface using a combination of Bond-order-length-strength(BOLS) correlation…
Electronic structure and bond relaxation at Na/Ta(110) interfaces and 1D-chain and 2D-ring Ta metal structures on Na(110)
Maolin Bo, Li Lei, Chuang Yao +3
We investigated the mechanism of Na/Ta(110) and Ta/Na(110) interfaces using a combination of bond band barrier (BBB) and zone selective electron spectroscopy (ZES) correlation. We…