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Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene
期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 4, 页码: 2183-2187
Authors:
Kong, Lingyi
;
Chen, Zhe
;
Cai, Qinghai
;
Yin, Lichang
;
Zhao, Jingxiang
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View/Download:43/0
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Submit date:2022/07/14
CO reduction
Electrocatalysis
Multi-carbon products
Density functional theory
2D black phosphorene
Boosting electrocatalytic activity for CO2 reduction on nitrogen-doped carbon catalysts by co-doping with phosphorus
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2021, 卷号: 54, 页码: 143-150
Authors:
Chen, Shuo
;
Liu, Tianfu
;
Olanrele, Samson O.
;
Lian, Zan
;
Si, Chaowei
;
Chen, Zhimin
;
Li, Bo
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View/Download:106/0
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Submit date:2021/03/15
Metal-free catalyst
CO2 reduction
Co-doping, DFT
Theoretical investigation of optoelectronic and magnetic properties of Co-doped ZnS and (Al, Co) co-doped ZnS
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 174, 页码: 8
Authors:
Khan, Muhammad Sheraz
;
Shi, Lijie
;
Zou, Bingsuo
;
Ali, Sajjad
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View/Download:80/0
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Submit date:2021/02/02
Dilute magnetic conductor
Semiconductor
Ferromagnetism
Spintronic
Optical properties
Hollow CaTiO3 cubes modified by La/Cr co-doping for efficient photocatalytic hydrogen production
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2018, 卷号: 225, 页码: 139-147
Authors:
Wang, RN
;
Ni, S
;
Liu, G
;
Xu, XX
;
Xu, XX (reprint author), Tongji Univ, Shanghai Key Lab Chem Assessment & Sustainabil, Sch Chem Sci & Engn, 1239 Siping Rd, Shanghai 200092, Peoples R China.
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View/Download:110/0
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Submit date:2018/06/05
Visible-light Irradiation
H-2 Production
In-situ
Codoped Srtio3
Evolution
Chromium
Water
Driven
Tio2
Nanostructures
Photocatalytic hydrogen production over Aurivillius compound Bi3TiNbO9 and its modifications by Cr/Nb co-doping
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 卷号: 217, 页码: 342-352
Authors:
Jiang, Lu
;
Ni, Shuang
;
Liu, Gang
;
Xu, Xiaoxiang
;
Xu, XX (reprint author), Tongji Univ, Shanghai Key Lab Chem Assessment & Sustainabil, Sch Chem Sci & Engn, 1239 Siping Rd, Shanghai 200092, Peoples R China.
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View/Download:81/0
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Submit date:2017/08/17
Bi3tinbo9
Cr/nb Co-doping
Hydrogen Production
Photocatalysis
Dft Calculation
Half-Metallicity in Co-Doped WSe2 Nanoribbons
期刊论文
AMER CHEMICAL SOC, 2017, 卷号: 9, 期号: 44, 页码: 38796-38801
Authors:
Xu, Runzhang
;
Liu, Bilu
;
Zou, Xiaolong
;
Cheng, Hui-Ming
;
Zou, XL (reprint author), Tsinghua Univ, Tsinghua Berkeley Shenzhen Inst, Low Dimens Mat & Devices Lab, Shenzhen 518055, Guangdong, Peoples R China.
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View/Download:74/0
  |  
Submit date:2018/01/10
Half-metal
Transition-metal Dichalcogenides
Doping Spintronics
Density Functional Theory Calculations
Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of AunM (M=Al and Si, n=1-9) clusters: comparison with pure gold clusters
期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 7, 页码: 3061-3072
Authors:
Y. F. Li
;
A. J. Mao
;
Y. Li
;
X. Y. Kuang
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  |  
View/Download:66/0
  |  
Submit date:2013/02/05
Cluster
Density Functional Theory
Electronic Property
Geometric
Configuration
Relative Stability
Nanoclusters
Spectroscopy
Geometries
Oxidation
Energies
Cations
Silver
Co
Probing the structural and electronic properties of lanthanide-metal-doped silicon clusters: M@Si(6) (M = Pr, Gd, Ho)
期刊论文
Physics Letters A, 2011, 卷号: 375, 期号: 30-31, 页码: 2836-2844
Authors:
H. F. Li
;
X. Y. Kuang
;
H. Q. Wang
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View/Download:76/0
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Submit date:2012/04/13
Density Functional Theory
M@si(6)(-) (m = Pr
Gd
Photoelectron Spectra
Ho) Clusters
Electronic Properties
Correlation-energy
Basis-sets
Si
Density
Pseudopotentials
Approximation
Exchange
Anions
Atoms
Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO(2)
期刊论文
Journal of Applied Physics, 2011, 卷号: 110, 期号: 7
Authors:
N. Li
;
K. L. Yao
;
L. Li
;
Z. Y. Sun
;
G. Y. Gao
;
L. Zhu
Adobe PDF(1433Kb)
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View/Download:84/0
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Submit date:2012/04/13
Generalized Gradient Approximation
Visible-light Photocatalysis
Doped
Tio2
Bandgap narrowing of titanium oxide nanosheets: homogeneous doping of molecular iodine for improved photoreactivity
期刊论文
Journal of Materials Chemistry, 2011, 卷号: 21, 期号: 38, 页码: 14672-14679
Authors:
G. Liu
;
C. H. Sun
;
L. Z. Wang
;
S. C. Smith
;
G. Q. Lu
;
H. M. Cheng
Adobe PDF(507Kb)
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View/Download:58/0
  |  
Submit date:2012/04/13
Visible-light Photocatalysis
Doped Tio2
Surface Science
Tantalum
Oxide
Photoactivity
Dioxide
Anatase
Degradation
Irradiation
Mechanisms