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Enhancing catalytic activity of Cr2O3 in CO2-assisted propane dehydrogenation with effective dopant engineering: a DFT-based microkinetic simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 卷号: 26, 期号: 12, 页码: 9708-9721
作者:  Jan, Faheem;  Zhi, Shuaike;  Sun, XiaoYing;  Li, Bo
收藏  |  浏览/下载：7/0  |  提交时间：2025/04/27
Electrochemical reactions catalyzed by carbon dots from computational investigations: functional groups, dopants, and defects 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2023, 页码: 41
作者:  Yang, Min;  Qin, Bin;  Si, Chaowei;  Sun, Xiaoying;  Li, Bo
收藏  |  浏览/下载：6/0  |  提交时间：2025/04/27
Regulating the N/B ratio to construct B, N co-doped carbon nanotubes on carbon felt for high-performance vanadium redox flow batteries 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 473, 页码: 10
作者:  Liu, Lansong;  Zhang, Xihao;  Zhang, Denghua;  Zhang, Kaiyue;  Hou, Shaoyu;  Wang, Shaoliang;  Zhang, Yifan;  Peng, Haiquan;  Liu, Jianguo;  Yan, Chuanwei
收藏  |  浏览/下载：14/0  |  提交时间：2024/01/08
N co-doped carbon nanotubes  In -situ growth  Electrode  Vanadium redox flow batteries  
Quantitative prediction of corrosion resistance in ferrous alloys: A first-principles study of coupled doping of alloying elements 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 卷号: 26, 页码: 7107-7115
作者:  Chen, You;  Hou, Qingfeng;  Wang, Haitao;  Han, En-Hou;  Gao, Mingyang;  Qiao, Zhiwei
收藏  |  浏览/下载：15/0  |  提交时间：2024/01/08
Ferrous alloys  Corrosion  First-principles calculations  High-throughput  
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
作者:  Kong, Lingyi;  Chen, Zhe;  Cai, Qinghai;  Yin, Lichang;  Zhao, Jingxiang
收藏  |  浏览/下载：102/0  |  提交时间：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
作者:  Chen, Shuo;  Liu, Tianfu;  Olanrele, Samson O.;  Lian, Zan;  Si, Chaowei;  Chen, Zhimin;  Li, Bo
收藏  |  浏览/下载：180/0  |  提交时间：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
作者:  Khan, Muhammad Sheraz;  Shi, Lijie;  Zou, Bingsuo;  Ali, Sajjad
收藏  |  浏览/下载：145/0  |  提交时间：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
作者:  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.
收藏  |  浏览/下载：163/0  |  提交时间：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
作者:  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.
收藏  |  浏览/下载：127/0  |  提交时间：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
作者:  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.
收藏  |  浏览/下载：124/0  |  提交时间：2018/01/10
Half-metal  Transition-metal Dichalcogenides  Doping Spintronics  Density Functional Theory Calculations