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Structural and electronic properties of Ta
2
O
5
with one formula unit
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 230
作者:
Tong, Yangwu
;
Tang, Huimin
;
Yang, Yong
收藏
  |  
浏览/下载:61/0
  |  
提交时间:2023/11/17
Ta2O5
Structure Search
Elementary Building Block
DFT Calculations
S vacancy in MoS
2
nanosheets induces H
2
O cleavage: a new era for 2D nanozyme
期刊论文
RESEARCH ON CHEMICAL INTERMEDIATES, 2023, 卷号: 49, 期号: 12, 页码: 10
作者:
Wang, Jin
;
Ren, Wenyu
;
Wang, Yi
;
Zhang, Dun
;
Wang, Yu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/11/30
MoS2
Nanozyme
Peroxidase-like activity
S vacancy
DFT calculations
Unexpected Redispersion Effect of Au Nanoclusters for Enormous Enhancement of Electrocatalytic Stability and Activity
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022
作者:
Xiao, Xiang-Yu
;
Song, Zong-Yin
;
Xie, Huanyu
;
Zhao, Yong-Huan
;
Chen, Shi-Hua
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2022/12/22
Au
(25) nanoclusters
DFT calculations
the electrocatalytic reduction of Cr(VI)
the sandwich configurations
unexpected redispersion effects
Comparison and theoretical analysis of the photocatalytic performance of Ni2+-Fe3+-CO32−-LDHs and Ni2+-Al3+-CO32−-LDHs
期刊论文
Journal of Molecular Structure, 2022, 卷号: 1262
作者:
Song, Xiaoli
;
Pang, Yaming
;
Yuan, Yuanyuan
;
Fu, Yuxiu
;
Gao, Liguo
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/04/21
Calculations
Citrus fruits
Energy gap
Nickel
Photocatalytic activity
Precipitation (chemical)
Wastewater treatment
D orbitals
DFT
Dyes wastewaters
Fe 3+
Homogeneous Precipitation
Hydrotalcites
Low band gap
Ni2+-al3+-CO32−-LDH
Ni2+-fe3+-CO32−-LDH
Single electron
Enhanced electrochemical sensing performance for trace Hg(II) by high activity of Co3+ on Co3O4-NP/N-RGO surface
期刊论文
ANALYTICA CHIMICA ACTA, 2022, 卷号: 1200
作者:
Xie, Feng
;
Song, Zong-Yin
;
Yang, Meng
;
Duan, Wan-Chun
;
Quan, Ying-Nan
收藏
  |  
浏览/下载:61/0
  |  
提交时间:2022/03/28
Electrochemical detection
Hg2+
High sensitivity
DFT calculations
Theory-guided oxygen-vacancy for enhancing H2S sensing performance of NiO
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 432
作者:
Li, Ke
;
Luo, Yuanyuan
;
Liu, Bo
;
Wang, Hong
;
Gao, Lei
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/05/16
Oxygen vacancy
DFT calculations
NiO
Gas sensing
H2S
Atomic Tuning of Single-Atom Fe-N-C Catalysts with Phosphorus for Robust Electrochemical CO2 Reduction
期刊论文
NANO LETTERS, 2022, 卷号: 22
作者:
Li, Ke
;
Zhang, Shengbo
;
Zhang, Xiuli
;
Liu, Shuang
;
Jiang, Haosong
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/05/16
CO2RR
single-atom catalyst
Fe-N/P-C
ex-situ XAS
DFT calculations
High entropy alloy/C nanoparticles derived from polymetallic MOF as promising electrocatalysts for alkaline oxygen evolution reaction
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 429, 页码: 11
作者:
Wang, Shiqi
;
Huo, Wenyi
;
Fang, Feng
;
Xie, Zonghan
;
Shang, Jian Ku
收藏
  |  
浏览/下载:63/0
  |  
提交时间:2022/01/27
High entropy alloy
Catalysts
Oxygen evolution reaction
FTACV test
In-situ Raman spectra
DFT calculations
hcp-phased Ni nanoparticles with generic catalytic hydrogenation activities toward different functional groups
期刊论文
SCIENCE CHINA-MATERIALS, 2021
作者:
Lv, Yang
;
Mao, Xin
;
Gong, Wanbing
;
Wang, Dongdong
;
Chen, Chun
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/02/14
crystal phase engineering
hcp-phased Ni nano-particles
catalytic hydrogenation
DFT calculations
H2O solvent
Band structure engineering enables to UV-Visible-NIR photocatalytic disinfection: Mechanism, pathways and DFT calculation
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2021, 卷号: 421
作者:
Wang, Rong
;
Liu, Ruixi
;
Luo, Shijia
;
Wu, Jiaxiang
;
Zhang, Daohong
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/11/18
Vacancy-rich
UV-Visible-NIR
DFT calculations
Photocatalytic disinfection
Mechanism
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