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Acetone adsorption behavior on two-dimensional ZnO regulated by doping engineering: A DFT study

delete2026-05-09
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PRE
AI
W
Wenjuan Jiang
J
Jinlian Wang
H
HongPing Zhang *
P
Pengfei Tang
H
Huilong Dong *
Q
Qingyuan Wang *
DOI:10.1016/j.cplett.2026.142859delete
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Abstract

Abstract

En 中文
• Elemental doping engineering is used to design and regulate the electronic structures of the ZnO NS. • Acetone adsorption behavior on the pristine or elemental-doped ZnO NS can be through two different interaction modes. • Among the 12 different doped ZnO NS, Ni-ZnO NS is regarded as the most promising acetone sensing candidate.
Keywords:
ZnO
doping engineering
acetone adsorption
density functional theory
gas sensing

Journal

Chemical Physics Letters cover
Chemical Physics Letters
IF:
3.1
Papers:
1.0K
Citations:
4.6W

Organization

C
chengdu university
Scholars:
1.7K
Papers: 656
Citations: 0
S
sichuan polytechnic university
Scholars:
56
Papers: 35
Citations: 1
S
suzhou university of technology
Scholars:
206
Papers: 95
Citations: 0
S
sichuan university
Scholars:
11.5W
Papers: 7.6W
Citations: 100
N
north sichuan medical university
Scholars:
675
Papers: 164
Citations: 0
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