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浏览/检索结果: 共95条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序题名升序题名降序作者升序作者降序发表日期升序发表日期降序 Incorporation of a Boron-Nitrogen Covalent Bond Improves the Charge-Transport and Charge-Transfer Characteristics of Organoboron Small-Molecule Acceptors for Organic Solar Cells 期刊论文  OAI收割 MOLECULES, 2023, 卷号: 28, 期号: 2, 页码: 15 作者:  Yang, Jie;  Ding, Wei-Lu;  Li, Quan-Song;  Li, Ze-Sheng   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 organoboron  non-fullerene acceptor-based organic solar cells  density functional theory  charge transport  charge transfer   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：11/0  |  提交时间：2023/05/09 Urea electrosynthesis  Porous boron nitride nanosheet  Single metal atom anchoring  Asymmetrical active sites  Density functional theory   Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products 期刊论文  OAI收割 JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 69, 页码: 456-465 作者:  Yang, Meiqi;  Wang, Zhongxu;  Jiao, Dongxu;  Tian, Yu;  Shang, Yongchen   |  收藏  |  浏览/下载：27/0  |  提交时间：2022/09/16 CO2 reduction  Supported metal clusters  Graphdiyne  Multi-carbon products  Density functional theory   A thermodynamic criterion for the choice of flux and its validity in NaBO2-fluxed beta-BaB2O4 crystal growth 期刊论文  OAI收割 CRYSTENGCOMM, 2022, 卷号: 24 作者:  Luo, Wen;  Wan, Songming;  Jiang, Shengjie;  Li, Bin   |  收藏  |  浏览/下载：36/0  |  提交时间：2022/05/05 Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene 期刊论文  OAI收割 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：22/0  |  提交时间：2022/07/14 CO reduction  Electrocatalysis  Multi-carbon products  Density functional theory  2D black phosphorene   High entropy alloy/C nanoparticles derived from polymetallic MOF as promising electrocatalysts for alkaline oxygen evolution reaction 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 429, 页码: 11 作者:  Wang, Shiqi;  Huo, Wenyi;  Fang, Feng;  Xie, Zonghan;  Shang, Jian Ku   |  收藏  |  浏览/下载：84/0  |  提交时间：2022/01/27 High entropy alloy  Catalysts  Oxygen evolution reaction  FTACV test  In-situ Raman spectra  DFT calculations   Br-induced P-poor defective nickel phosphide for highly efficient overall water splitting 期刊论文  OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2022, 卷号: 316, 页码: 121686 作者:  Xu, Tianyi;  Jiao, Dongxu;  Zhang, Lei;  Zhang, Haiyan;  Zheng, Lirong   |  收藏  |  浏览/下载：4/0  |  提交时间：2023/11/09 The structural origin of the 15 mu m residual absorption in the BaGa4Se7 crystal 期刊论文  OAI收割 JOURNAL OF MATERIALS CHEMISTRY C, 2021 作者:  Jiang, Shengjie;  Wan, Songming;  Luo, Wen;  Li, Bin;  Yao, Jiyong   |  收藏  |  浏览/下载：20/0  |  提交时间：2022/01/10 Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11 作者:  Shang, Honghui;  Liang, WanZhen;  Zhang, Yunquan;  Yang, Jinlong   |  收藏  |  浏览/下载：24/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory   MC2 (M = Y, Zr, Nb, and Mo) monolayers containing C-2 dimers: prediction of anode materials for high-performance sodium ion batteries 期刊论文  OAI收割 NANOSCALE ADVANCES, 2021, 卷号: 3, 期号: 23, 页码: 6617-6627 作者:  Xu, Zhanzhe;  Lv, Xiaodong;  Gu, Wenyue;  Li, Fengyu   |  收藏  |  浏览/下载：7/0  |  提交时间：2021/12/01 CAPACITY ELECTRODE MATERIAL  INITIO MOLECULAR-DYNAMICS  LITHIUM-ION  THEORETICAL PREDICTION  TI3C2 MXENE  LI  NA  STORAGE  1ST-PRINCIPLES  TRANSITION