Thu Dau Mot University Journal of Science


A DFT study of the adsorption of F atoms on germanene nanoribbons

By Vo Van On, Nguyen Duy Khanh, Nguyen Thanh Tung, Hoang Van Ngoc and Huynh Thi Phuong Thuy
Published online 15/09/2022
DOI: 10.37550/tdmu.EJS/2022.03.315

Abstract

In the paper, we investigate the structure and electronic properties of the pristine germanene nanoribbon and four adsorption configurations of 1F and 2F on the substrate of germanene nanoribbon. We obtained the parameters of the most stable structures of pristine germanene nanoribbon and four adsorption configurations. The band structure and the density of state and the part density of state for each element were also obtained. Findings show the adsorption configuration of 1F-GeNR.bridge has no band structure, while other configurations are semimetals with band gap from 0.175eV to 0.67eV; both four adsorption configurations are chemisorption and non-magnetic. The charge distribution of all configurations also was investigated; it showed that there is a charge shift from Ge atoms towards F atoms due to their electronegativity difference.


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Publication Information

Publisher

Thu Dau Mot University, Viet Nam

Honorary Editor-in-Chief and Chairman of the Editorial Board

Assoc. Prof. Nguyen Van Hiep

Deputy Editor-in-Chief

PhD. Trần Hạnh Minh Phương
Thu Dau Mot University

Editorial Board

Prof. Tran Van Doan
Fujen University, Taiwan
Prof. Zafar Uddin Ahmed
Vietnam National University Ho Chi Minh City

Prof.Dr. Phillip G.Cerny
The University of Manchester, United Kingdom
Prof. Ngo Van Le
University of Social Sciences and Humanities (VNU-HCM)

Prof. Bui The Cuong
Southern Institute of Social Sciences​​​​​​​
Prof. Le Quang Tri
Can Tho University

Assoc. Prof. Nguyen Van Duc
Animal Husbandry Association of Vietnam
Assoc. Prof. Ted Yuchung Liu
National Pingtung University, Taiwan

PhD. Anita Doraisami
Economics Monash University, Australia
Prof. Dr. Andrew Seddon
Asia Pacific University of Technology & innovation (APU)

Assoc. Prof. Le Tuan Anh
Thu Dau Mot University
Prof. Abtar Darshan Singh
Asia Pacific University, Malaysia

Prof.Dr. Ron W.Edwards
The University of Melbourne, Australia
Assoc. Prof. Hoang Xuan Nien
Thu Dau Mot University

PhD. Nguyen Duc Nghia
Vietnam National University Ho Chi Minh City
PhD. Bao Dat
Monash University (Australia)

PhD. Raqib Chowdhury
Monash University (Australia)
PhD. Nguyen Hoang Tuan
Thu Dau Mot University

PhD. Nguyen Thi Lien Thuong
Thu Dau Mot University

Assistant

Nguyen Thi Man
Thu Dau Mot University