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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 发表日期：2017     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 Enhanced optical absorption and photocatalytic activity of anatase TiO2 through C-Nd-codoped: A DFT plus U calculations 期刊论文 JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2017, 卷号: 109, 页码: 70-77 作者:  Shi, Hailong;  Lin, Yanming;  Jiang, Zhenyi;  Su, Yunlong;  Ding, Xu 收藏  |  浏览/下载：19/0  |  提交时间：2018/05/31 TiO2  Density functional theory plus U  Optical absorption  Photocatalysis   The electronic structure, optical absorption and photocatalytic water splitting of (Fe plus Ni)-codoped TiO2: A DFT + U study 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 页码: 4966-4976 作者:  Lin, Yanming;  Jiang, Zhenyi;  Zhu, Chaoyuan;  Zhang, Ruiqin;  Hu, Xiaoyun 收藏  |  浏览/下载：29/0  |  提交时间：2018/05/31 TiO2  Codoping  Photocatalytic water splitting for hydrogen generation  Density functional theory   Theoretical investigation of structural, mechanical and electronic properties of GaAs1-xNx alloys under ambient and high pressure 期刊论文 Physica B: Condensed Matter, 2017, 卷号: 526, 页码: 1-6 作者:  Li J(李健);  Han XX(韩修训);  Dong C(董琛);  Fan, Changzeng;  Han XX(韩修训) 收藏  |  浏览/下载：110/0  |  提交时间：2017/12/18 First-principles Calculations  Gaas1-xnx Alloys  High Pressure  Dilute Nitrides  n Concentration  Band Gap   Electronic and vibrational properties of Pu3Ga: A theoretical explanation for the phonon softening observed in Pu-Ga alloys 期刊论文 PHYSICAL REVIEW B, 2017 Li, Menglei; Yang, Yu; Zheng, Fawei; Zhang, Ping 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 AUGMENTED-WAVE METHOD  DELTA-PU  PLUTONIUM METAL  PHASE-STABILITY   NH3-SCR Mechanism on Cu-SAPO-18 catalysts: A DFT plus U study 期刊论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253 作者:  Deng, Jianlin;  Song, Weiyu;  Zhao, Zhen;  Zhao, Liang;  Liu, Jian 收藏  |  浏览/下载：4/0  |  提交时间：2020/01/03 NH3-SCR Mechanism on Cu-SAPO-18 catalysts: A DFT plus U study 会议论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017-04-02 作者:  Deng, Jianlin;  Song, Weiyu;  Zhao, Zhen;  Zhao, Liang;  Liu, Jian 收藏  |  浏览/下载：2/0  |  提交时间：2020/01/03 Mechanism of surface effect and selective catalytic performance of MnO2 nanorod: DFT plus U study 期刊论文 APPLIED SURFACE SCIENCE, 2017, 卷号: Vol.420, 页码: 205-213 作者:  Chen, Zheng;  Li, Guifa;  Zheng, Haizhong;  Shu, Xiaoyong;  Zou, Jianping 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/31 MnO2 nanorod  Surface nanometer  Selective catalysis  Microcosmic mechanism  First-principles