67 citations · 127 across the 5 of their papers we have counts for
5 papers
Pd/Pt embedded CN monolayer as efficient catalysts for CO oxidation
Yongchao Rao, Xiangmei Duan
Single atom catalysts (SACs) based on 2D materials are identified to be efficient in many catalytic reaction. In this work, the catalytic performance of Pd/Pt embedded planar carbo…
Theoretical design of a strain-controlled nanoporous CN membrane for helium separation
Yongchao Rao, Zhaoqin Chu, Xiao Gu +1
Designing an efficient membrane for He purification is quite crucial in scientific and industrial applications. Ultrathin membranes with intrinsic pores are highly desirable for ga…
Prediction of MoO2 as high capacity electrode material for (Na, K, Ca)-ion batteries
Yongchao Rao, Song Yu, Xiao Gu +1
Na, K and Ca-ion battery electrode materials with appropriate electrochemical properties are desirable candidates for replacing lithium-ion batteries (LIBs) because of their natura…
Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surface
A. Stroppa, X. Duan, M. Peressi +2
We present a combined experimental and computational study of the (110) cross-sectional surface of Mn -doped GaAs samples. We focus our study on three different selected Mn defe…
Cross-sectional imaging of sharp Si interlayers embedded in gallium arsenide
Xiangmei Duan, Stefano Baroni, Silvio Modesti +1
We investigate the electronic properties of the (110) cross-sectional surface of Si-doped GaAs using first-principles techniques. We focus on doping configurations with an equal co…