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Single metal atom anchored on porous boron nitride nanosheet for efficient collaborative urea electrosynthesis: A computational study
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 451, 页码: 9
作者:
Kong, Lingyi
;
Jiao, Dongxu
;
Wang, Zhongxu
;
Liu, Yuejie
;
Shang, Yongchen
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/05/09
Urea electrosynthesis
Porous boron nitride nanosheet
Single metal atom anchoring
Asymmetrical active sites
Density functional theory
Stability and Catalytic Performance of Single-Atom Catalysts Supported on Doped and Defective Graphene for CO2 Hydrogenation to Formic Acid: A First-Principles Study
期刊论文
OAI收割
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 7, 页码: 6893-6902
作者:
Ali, Sajjad
;
Iqbal, Rashid
;
Khan, Azim
;
Rehman, Shafiq Ur
;
Haneef, Muhammad
  |  
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2021/10/15
single-atom catalysts
doped and defective carbon
CO2 hydrogenation
formic acid
density functional theory
Computational Screening of Single Atoms Anchored on Defective Mo2CO2 MXene Nanosheet as Efficient Electrocatalysts for the Synthesis of Ammonia
期刊论文
OAI收割
ADVANCED ENGINEERING MATERIALS, 2021, 页码: 8
作者:
Wang, Shuo
;
Li, Lei
;
San Hui, Kwan
;
Bin F(宾峰)
;
Zhou, Wei
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2021/08/16
density functional theory calculations
electrocatalysis
MXene
nitrogen reduction reaction
single-atom catalysts
Density Functional Theory Study of a Graphdiyne-Supported Single Au Atom Catalyst for Highly Efficient Acetylene Hydrochlorination
期刊论文
OAI收割
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 6, 页码: 6152-6159
作者:
Ali, Sajjad
;
Lian, Zan
;
Li, Bo
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2021/10/15
single-atom catalyst
graphdiyne
acetylene hydrochlorination
reaction mechanism
density functional theory
Highly Dispersive Cerium Atoms on Carbon Nanowires as Oxygen Reduction Reaction Electrocatalysts for Zn-Air Batteries
期刊论文
OAI收割
NANO LETTERS, 2021, 卷号: 21, 期号: 10, 页码: 4508-4515
作者:
Li, Jin-Cheng
;
Qin, Xueping
;
Xiao, Fei
;
Liang, Caihong
;
Xu, Mingjie
  |  
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2021/10/15
Single-atom catalyst
Ce-N-C
density functional theory
oxygen reduction
Zn-air battery
Hydrogen evolution reaction on in-plane platinum and palladium dichalcogenides via single-atom doping
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 卷号: 46, 期号: 35, 页码: 18294-18304
作者:
Liu, Gang
;
Li, Jingjing
;
Dong, Chao
;
Wu, Liyuan
;
Liang, Dan
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2021/12/01
Density functional theory
Platinum and palladium dichalcogenides
Single-atom doping
Hydrogen evolution reaction
A Highly Efficient Fe-N-C Electrocatalyst with Atomically Dispersed FeN4 Sites for the Oxygen Reduction Reaction
期刊论文
OAI收割
CHEMCATCHEM, 2021, 页码: 9
作者:
Jin, Xinxin
;
Xie, Yan
;
Fu, Junhong
;
Zhao, Chaoyue
;
Xu, Yinghao
  |  
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2021/10/15
Single atom electrocatalyst
N-doped carbon
Porous structure
Oxygen reduction reaction
Density functional theory calculations
Highly Selective Two-Electron Electrocatalytic CO2 Reduction on Single-Atom Cu Catalysts
期刊论文
OAI收割
SMALL STRUCTURES, 2021, 卷号: 2, 期号: 1, 页码: 7
作者:
Xu, Chaochen
;
Zhi, Xing
;
Vasileff, Anthony
;
Wang, Dan
;
Jin, Bo
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/06/15
Cu single-atom catalysts
density functional theory
electrocatalytic CO2 reduction
Faradaic efficiency
limiting potential
Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries
期刊论文
OAI收割
NANO LETTERS, 2020, 卷号: 20, 期号: 2, 页码: 1252-1261
作者:
Zhou, Guangmin
;
Wang, Shiyong
;
Wang, Tianshuai
;
Yang, Shi-Ze
;
Johannessen, Bernt
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/02/02
Single-atom catalysts
lithium-sulfur batteries
catalytic conversion
graphene
density functional theory simulation
Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries
期刊论文
OAI收割
NANO LETTERS, 2020, 卷号: 20, 期号: 2, 页码: 1252-1261
作者:
Zhou, Guangmin
;
Wang, Shiyong
;
Wang, Tianshuai
;
Yang, Shi-Ze
;
Johannessen, Bernt
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/02/02
Single-atom catalysts
lithium-sulfur batteries
catalytic conversion
graphene
density functional theory simulation