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浏览/检索结果: 共13条，第1-10条 帮助 限定条件 发表日期：2018    专题：武汉理工大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Antiplatelet activity, molecular docking and QSAR study of novel N′-arylmethylidene-3-methyl-1-phenyl-6-p-chlorophenyl-1H-pyrazolo[3,4-b] pyridine-4-carbohydrazides 期刊论文 Medicinal Chemistry Research, 2018, 卷号: 27, 期号: 2, 页码: 388-405 作者:  Ramzan, Ayesha;  Siddiqui, Sara;  Irfan, Ahmad;  Al-Sehemi, Abdullah G.;  Ahmad, Aftab 收藏  |  浏览/下载：6/0  |  提交时间：2019/12/04 Acyl Hydrazone  Density Functional Theory  Electrostatic Potential̇  Physiochemical Properties   Graphene-Based Nanocomposites for Efficient Photocatalytic Hydrogen Evolution: Insight into the Interface toward Separation of Photogenerated Charges 期刊论文 ACS Applied Materials and Interfaces, 2018, 卷号: 10, 期号: 50, 页码: 43760-43767 作者:  Li, Yuan;  Wang, Xiaoyang;  Gong, Jie;  Xie, Yahong;  Wu, Xiaoyong* 收藏  |  浏览/下载：13/0  |  提交时间：2019/12/04 SrTiO3  density functional theory study  electron screening effect  photocatalytic hydrogen evolution  rGO-based heterogeneous photocatalysts  separation of photogenerated charges   Ab Initio Simulation Explains the Enhancement of Catalytic Oxygen Evolution on CaMnO3 期刊论文 ACS Catalysis, 2018, 卷号: 8, 期号: 3, 页码: 2218-2224 作者:  Qiu, Tian;  Tu, Bingtian;  Saldana-Greco, Diomedes;  Rappe, Andrew M.* 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/04 aqueous surface phase diagram  calcium manganite  density functional theory  electrocatalysis  oxygen evolution   A fundamental DFT study of chalcopyrite surface evolution due to impurity divalent ions during leaching process 期刊论文 Minerals Engineering, 2018, 卷号: 121, 页码: 205-211 作者:  Li, Yubiao*;  Wei, Zhenlun;  Xiao, Qing;  Gao, Huimin;  Song, Shaoxian 收藏  |  浏览/下载：8/0  |  提交时间：2019/12/04 Chalcopyrite  Surface  Passivation layer  Divalent ions  Density functional theory   Synergistic coupling of lamellar MoSe2 and SnO2 nanoparticles via chemical bonding at interface for stable and high-power sodium-ion capacitors 期刊论文 Chemical Engineering Journal, 2018, 卷号: 354, 页码: 1164-1173 作者:  Zhao, Xu;  Zhao, Yundong;  Liu, Zihang;  Yang, Ying;  Sui, Jiehe 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04 Density functional theory calculations  Hybrid sodium ion capacitors  Pseudocapacitive charge storages  Sodium ion batteries   Incorporating spin-orbit effects into surface hopping dynamics using the diagonal representation: a linear-response time-dependent density functional theory implementation with applications to 2-thiouracil. 期刊论文 Physical Chemistry Chemical Physics, 2018, 卷号: 20, 期号: 22, 页码: 15445-15454 作者:  Duan, Jun-Xin;  Zhou, Yun;  Xie, Zhi-Zhong;  Sun, Tao-Lei*;  Cao, Jun* 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04 Mechanistic insight into the enhanced photocatalytic activity of single-atom Pt, Pd or Au-embedded g-C3N4 期刊论文 Applied Surface Science, 2018, 卷号: 433, 页码: 1175-1183 作者:  Tong, Tong;  Zhu, Bicheng;  Jiang, Chuanjia;  Cheng, Bei*;  Yu, Jiaguo（余家国） 收藏  |  浏览/下载：19/0  |  提交时间：2019/12/04 Density functional theory  Graphitic carbon nitride  Interlayer charge carrier transfer  Noble metal  Photocatalysis  Single atom   First-principle calculation study of tri-s-triazine-based g-C3N4: A review 期刊论文 Applied Catalysis B: Environmental, 2018, 卷号: 224, 页码: 983-999 作者:  Zhu, Bicheng;  Zhang, Liuyang;  Cheng, Bei;  Yu, Jiaguo*（余家国） 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/04 g-C3N4  Density functional theory  Electronic property  Photocatalysis   3D Ferroconcrete‐Like Aminated Carbon Nanotubes Network Anchoring Sulfur for Advanced Lithium–Sulfur Battery 期刊论文 Advanced Energy Materials, 2018, 卷号: 8, 期号: 25, 页码: - 作者:  Yan, Min;  Chen, Hao;  Yu, Yong;  Zhao, Heng;  Li, Chao-Fan 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/04 carbon nanotubes  density functional theory  ethylenediamine modification  Li–S battery  polyaniline   Oxygen Vacancy-Determined Highly Efficient Oxygen Reduction in NiCo2O4/Hollow Carbon Spheres 期刊论文 ACS Applied Materials and Interfaces, 2018, 卷号: 10, 期号: 19, 页码: 16410-16417 作者:  Yuan, Hui;  Li, Jiantao;  Yang, Wei;  Zhuang, Zechao;  Zhao, Yan* 收藏  |  浏览/下载：9/0  |  提交时间：2019/12/04 NiCo2O4  density functional theory  hollow carbon spheres  mesoporous nanosheets  oxygen reduction reaction  oxygen vacancies