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Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
Authors:  Guan, Yue;  Li, Xiaodan;  Hu, Qingmiao;  Zhao, Dandan;  Zhang, Lin
Favorite  |  View/Download:3/0  |  Submit date:2022/09/16
First principle calculations  2D materials  Heterojunction  Electronic structure  Electric field  Photovoltaic applications  
First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
Authors:  Liu, Mingfeng;  Wang, Lei;  Wang, Jiantao;  Zhu, Heyu;  Ma, Hui;  Wei, Yan;  Zhang, Aimin;  Chen, Li;  Liu, Peitao;  Chen, Xing-Qiu
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First-principles calculations  Variable-composition evolutionary structure search  Pd-Nb binary system  Intermetallics  Electronic structures  Elastic properties  
Perovskite enables high performance vanadium redox flow battery 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 443, 页码: 8
Authors:  Jiang, Yingqiao;  Liu, Zihe;  Lv, Yanrong;  Tang, Ao;  Dai, Lei;  Wang, Ling;  He, Zhangxing
Favorite  |  View/Download:9/0  |  Submit date:2022/07/14
Vanadium redox flow battery  Perovskite  Electronic structure  P-band center  Composite electrode  
Tunnel-structured willemite Zn2SiO4: Electronic structure, elastic, and thermal properties 期刊论文
Journal of Advanced Ceramics, 2022, 卷号: 11, 期号: 8
Authors:  Dai,Ruqiao;  Cheng,Renfei;  Wang,Jiemin;  Zhang,Chao;  Li,Cuiyu;  Wang,Hailong;  Wang,Xiaohui;  Zhou,Yanchun
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Zn2SiO4  electronic structure  elastic properties  thermal expansion  thermal conductivity  
Modulation of morphology and electronic structure on MoS2-based electrocatalysts for water splitting 期刊论文
NANO RESEARCH, 2022, 页码: 26
Authors:  Liu, Mengmeng;  Zhang, Chunyan;  Han, Ali;  Wang, Ling;  Sun, Yujia;  Zhu, Chunna;  Li, Rui;  Ye, Sheng
Favorite  |  View/Download:4/0  |  Submit date:2022/09/16
MoS2  morphology  electronic structure  electrocatalysis  water splitting  
Modulation of morphology and electronic structure on MoS2-based electrocatalysts for water splitting 期刊论文
NANO RESEARCH, 2022, 页码: 26
Authors:  Liu, Mengmeng;  Zhang, Chunyan;  Han, Ali;  Wang, Ling;  Sun, Yujia;  Zhu, Chunna;  Li, Rui;  Ye, Sheng
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MoS2  morphology  electronic structure  electrocatalysis  water splitting  
Electron emission mechanism of scandium-tungsten cathodes 期刊论文
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2022, 卷号: 105, 页码: 5
Authors:  Cheng, Yin;  Sun, Yuan;  Zhou, Yizhou;  Wang, Shiyang;  Meng, Jie
Favorite  |  View/Download:9/0  |  Submit date:2022/07/14
Thermoelectric materials  Crystal structure  Electronic structure  Density functional theory  First-principle calculations  
Tailoring the surface structure of iron compounds to optimize the selectivity of 3-nitrostyrene hydrogenation reaction over Pt catalyst 期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 6, 页码: 2911-2914
Authors:  Zhang, Ying;  Gao, Tongtong;  Dai, Chengshan;  Zhang, Liyun;  Niu, Yiming;  Chen, Junnan;  Liu, Zhong-Wen;  Zhang, Bingsen
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Pt  Electronic structure  Surface structure  Iron compounds  Selective hydrogenation  3-Nitrostyrene  
Enabling highly efficient and broadband electromagnetic wave absorption by tuning impedance match in high-entropy transition metal diborides (HE TMB2) 期刊论文
Journal of Advanced Ceramics, 2021, 卷号: 10, 期号: 6
Authors:  Zhang,Weiming;  Dai,Fu-Zhi;  Xiang,Huimin;  Zhao,Biao;  Wang,Xiaohui;  Ni,Na;  Karre,Rajamallu;  Wu,Shijiang;  Zhou,Yanchun
Favorite  |  View/Download:92/0  |  Submit date:2021/11/22
transition metal diboride (TMB2)  high-entropy (HE) ceramics  electronic structure  microwave absorption  dielectric and magnetic losses coupling  
Controllable electronic effect via deep eutectic solvents modification for boosted aerobic oxidative desulfurization 期刊论文
MOLECULAR CATALYSIS, 2021, 卷号: 512, 页码: 8
Authors:  Lu, Linjie;  Zhang, Bingsen;  Li, Hongping;  Chao, Yanhong;  Li, Yujun;  Chen, Linlin;  Li, Huaming;  Ji, Hongbing;  Wu, Peiwen;  Zhu, Wenshuai
Favorite  |  View/Download:44/0  |  Submit date:2021/10/15
Electronic structure  Deep eutectic solvent  Hexagonal boron nitride  Organic modification  Oxidative desulfurization