shiyu Du

Dr. shiyu Du

Engineering Laboratory of Advanced Energy Materials, Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences, Ningbo 315201, China

Research Focus & Metrics

Academic Career Length

13Years (2014-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
1 March 2019 in Journal of the American Chemical Society
Verified
Journal Article
Closed access
MLMian Li
Mian Li
JLJun Lu
Jun Lu
KLKan Luo
Kan Luo
YLYoubing Li
Youbing Li
KCKeke Chang
Keke Chang
QHQing Huang
Qing Huang

9 March 2016 in Angewandte Chemie International Edition
Verified
Journal Article
Closed access
PDF file
JZJie Zhou
Jie Zhou
XZXianhu Zha
Xianhu Zha
FCFan Y. Chen
Fan Y. Chen
QYQun Ye
Qun Ye
PEPer Eklund
Per Eklund
QHQing Huang
Qing Huang

6 April 2017 in ACS Nano
Verified
Journal Article
Closed access
JZJie Zhou
Jie Zhou
XZXianhu Zha
Xianhu Zha
XZXiaobing Zhou
Xiaobing Zhou
FCFanyan Chen
Fanyan Chen
GGGuoliang Gao
Guoliang Gao
QHQing Huang
Qing Huang

8 January 2021 in ACS Nano
Verified
Journal Article
Closed access
MLMian Li
Mian Li
XLXinliang Li
Xinliang Li
GQGuifang Qin
Guifang Qin
KLKan Luo
Kan Luo
JLJun Lu
Jun Lu
QHQing Huang
Qing Huang

1 July 2015 in Europhysics Letters
Verified
Journal Article
Closed access
PDF file
XZXian-Hu Zha
Xian-Hu Zha
KLKan Luo
Kan Luo
QLQiuwu Li
Qiuwu Li
QHQing Huang
Qing Huang
JHJian He
Jian He
SDshiyu Du
shiyu Du
The two-dimensional material MXene has recently attracted interest for its excellent performance in diverse perspectives. Etched from the parental MAX phase with hydrofluoric acid, the synthesized MXene surface is normally functionalized by oxygen (-O), fluorine (-F) or hydroxyl (-OH) groups. Herein, using first-principles density functional calculations, we investigate the structural, mechanical and electronic properties of the carbide MXene M2CT2 (M=Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, W; T=-O, -F, -OH). Both the M atom and the surface group T have a significant effect on the MXenes properties. Generally, oxygen functionalized MXenes present smaller lattice parameters and stronger mechanical strength compared to those functionalized by fluorine and hydroxyl groups. exhibits the smallest interlayer thickness and shows the strongest mechanical strength. In regard to electronic properties, five oxygen functionalized members M2CO2 (M=Sc, Ti, Zr, Hf, W), two fluorine functionalized members M2CF2 (M=Sc, Mo), and hydroxyl functionalized Sc2C(OH)2 present semiconducting characteristics, but only Sc2C(OH)2 exhibits a direct band gap.

24 September 2019 in ACS Nano
Verified
Journal Article
Closed access
WDWen Dai
Wen Dai
TMTengfei Ma
Tengfei Ma
QYQingwei Yan
Qingwei Yan
JGJingyao Gao
Jingyao Gao
XTXue Tan
Xue Tan
Cheng-Te LinCheng-Te Lin
Cheng-Te Lin