Keyword:density functional theory

Papers
ORR Reactivity of Surface Ni Along with Pt Surface in Pt-Ni Surface Venkataramana Imandi, Prafulla Puri and Abhijit Chatterjee EasyChair Preprint no. 4760
Electromechanical Properties of Monolayer Sn-dichalcogenides Bach Le Xuan, Thanh Van Vuong, Bao Hoang Van, Truong Do Wang and Hung Nguyen Tuan EasyChair Preprint no. 3977
Strain Effects on Electronic and Optical Properties of Monolayer Mo-Dichalcogenides Thanh Van Vuong, Thuy Dung Nguyen, Bach Le Xuan, Van Nguyen Duy, Loi Giap Van, Bao Hoang Van, Truong Do Wang and Hung Nguyen Tuan EasyChair Preprint no. 3976
A computational study of cysteine and glutathione binding to Au8 cluster Thanh Si Nguyen and Vu Nhat Pham In:Proceedings of International Symposium on Applied Science 2019
Band Gap Tailoring of Cu2Se by Chlorine: A First Principles Study Zeesham Abbas, Iqra Iftikhar and Sikander Azam EasyChair Preprint no. 2738