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浏览/检索结果: 共5条，第1-5条 帮助 限定条件 发表日期：2018     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 Bandgap control and optical properties of beta-Si3N4 by single- and co-doping from a first-principles simulation 期刊论文 INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 14 作者:  Lu, Xuefeng;  Gao, Xu;  Ren, Junqiang;  Li, Cuixia;  Guo, Xin 收藏  |  浏览/下载：21/0  |  提交时间：2019/11/15 First-principles  bandgap tailoring  absorption spectra  dielectric constant  hexagonal silicon nitride   Insight into the extraction mechanism of americium(iii) over europium(iii) with pyridylpyrazole: a relativistic quantum chemistry study 期刊论文 Journal of physical chemistry a, 2018, 卷号: 122, 期号: 18, 页码: 4499-4507 作者:  Kong, Xiang-He;  Wu, Qun-Yan;  Wang, Cong-Zhi;  Lan, Jian-Hui;  Chai, Zhi-Fang 收藏  |  浏览/下载：53/0  |  提交时间：2019/04/23 Adsorption of rare earth yttrium and ammonium ions on kaolinite surfaces: a DFT study 期刊论文 THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 4, 页码: 11 作者:  Wang, Guanshi;  Lai, Yuanming;  Peng, Chenliang 收藏  |  浏览/下载：44/0  |  提交时间：2019/10/09 Rare earth  Ammonium ion  Kaolinite  Adsorption  DFT   Insight into the Extraction Mechanism of Americium(III) over Europium(III) with Pyridylpyrazole: A Relativistic Quantum Chemistry Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 18, 页码: 4499-4507 作者:  Shi, WQ;  Kong XH(孔祥鹤);  Wu QY(吴群燕);  Wang CZ(王聪芝);  Lan JH(蓝建慧) 收藏  |  浏览/下载：31/0  |  提交时间：2019/09/24 Oxygen vacancy and doping atom effect on electronic structure and optical properties of Cd2SnO4 期刊论文 RSC ADVANCES, 2018, 卷号: 8, 页码: 640-646 作者:  Tang, Mei;  Shang, JiaXiang;  Zhang, Yue 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/30 Cadmium compounds  Conduction bands  Density functional theory  Electronic structure  Energy gap  Optical properties  Oxygen  Tin compounds  Vacancies  Vanadium compounds  Electron transfer  Electronic structure and optical properties  Formation energies  Generalized gradient approximations  Optical calculations  Pseudopotential method  Short wavelengths  Visible light region  Oxygen vacancies