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浏览/检索结果: 共79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发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Revealing the Tunable Effects of Single Metal Atoms Supported on Nitrogen-Doped Carbon Nanotubes during NO Oxidation from Microkinetic Simulation 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 页码: 7 作者:  Si, Chaowei;  Yang, Min;  Li, Bo   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/05/09 Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism 期刊论文  OAI收割 ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14 作者:  Lu, Ning;  Wang, Kai;  Jiang, Jiaxin;  Guo, Hongyan;  Zuo, Gui Zhong   |  收藏  |  浏览/下载：31/0  |  提交时间：2022/12/23 two-dimensional functional material  lithium storage  anode material  lithium batteries  first-principles computation   Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: A collaborative experimental and first-principles study 期刊论文  OAI收割 JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2022, 卷号: 612, 页码: 584-597 作者:  Xie, Chaoyue;  Zhu, Baozhong;  Sun, Yunlan;  Li, Fan;  Song, Weiyi   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/11/20 Cu doping  Oxygen vacancy  Fe-based catalyst  First-principles   Probing the reaction mechanism of acetylene hydrochlorination on metal-free doped boron nitride: Decisive role of carbon dopant 期刊论文  OAI收割 APPLIED SURFACE SCIENCE, 2021, 卷号: 566, 页码: 7 作者:  Si, Chaowei;  Lian, Zan;  Yang, Min;  Li, Bo   |  收藏  |  浏览/下载：48/0  |  提交时间：2021/11/22 Metal-free catalysis  Boron Nitride  DFT  Acetylene hydroclorination  Carbon doping   The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 80, 页码: 163-170 作者:  Chen, Qiu-Jie;  Ma, Shang-Yi;  Wang, Shao-Qing   |  收藏  |  浏览/下载：26/0  |  提交时间：2021/10/15 Titanium alloys  Twin  Interfacial twin boundary phase  Generalized planar fault energy  First-principles   Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study 期刊论文  OAI收割 RSC ADVANCES, 2021, 卷号: 11 作者:  Liu, Zhijie   |  收藏  |  浏览/下载：27/0  |  提交时间：2021/05/10 Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study 期刊论文  OAI收割 RSC ADVANCES, 2021, 卷号: 11, 期号: 15, 页码: 8643-8653 作者:  Liu, Zhijie;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang   |  收藏  |  浏览/下载：13/0  |  提交时间：2021/12/10 ASYMPTOTICALLY-PRESERVING LARGE DEVIATIONS PRINCIPLES BY STOCHASTIC SYMPLECTIC METHODS FOR A LINEAR STOCHASTIC OSCILLATOR 期刊论文  OAI收割 SIAM JOURNAL ON NUMERICAL ANALYSIS, 2021, 卷号: 59, 期号: 1, 页码: 32-59 作者:  Chen, Chuchu;  Hong, Jialing;  Jin, Diancong;  Sun, Liying   |  收藏  |  浏览/下载：14/0  |  提交时间：2021/04/26 stochastic symplectic methods  superiority  large deviations principle  rate function  asymptotical preservation   High-throughput computation on relationship between composition and magnetic phase transition temperature of LaFe11.5Si1.5-based magnetic refrigeration materials 期刊论文  OAI收割 ACTA PHYSICA SINICA, 2021, 卷号: 70, 期号: 20 作者:  Su Wen-Xia;  Lu Hai-Ming;  Zeng Zi-Rui;  Zhang Yi-Fei;  Liu Jian   |  收藏  |  浏览/下载：8/0  |  提交时间：2021/12/01 ENTROPY CHANGE  HEAT  NI   Optimized MoP with Pseudo-Single-Atom Tungsten for Efficient Hydrogen Electrocatalysis 期刊论文  OAI收割 CHEMISTRY OF MATERIALS, 2021, 卷号: 33, 期号: 10, 页码: 3639--3649 作者:  BSRF用户   |  收藏  |  浏览/下载：8/0  |  提交时间：2022/09/15