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浏览/检索结果: 共15条，第1-10条 帮助 限定条件 专题：中国石油大学（北京）    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 Guiding Principles for Designing Highly Efficient Metal-Free Carbon Catalysts 期刊论文 ADVANCED MATERIALS, 2019, 卷号: 31, 页码: e1805252 - 收藏  |  浏览/下载：7/0  |  提交时间：2020/01/03 carbon nanomaterials  design principles  DFT calculations  electrocatalysts  photocatalysts   Artificial neural network assisted two-phase flash calculations in isothermal and thermal compositional simulations 期刊论文 FLUID PHASE EQUILIBRIA, 2019, 卷号: 486, 页码: 59-79 - 收藏  |  浏览/下载：8/0  |  提交时间：2020/01/03 Phase equilibrium calculation  Artificial neural network  Compositional simulation  EoS calculations acceleration  sStability test  Phase split calculation   Defective MnxZr1-xO2 Solid Solution for the Catalytic Oxidation of Toluene: Insights into the Oxygen Vacancy Contribution 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 页码: 730-739 - 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03 molecular oxygen activation  MnxZr1-xO2 solid solution  toluene oxidation  oxygen vacancy contribution  DFT calculations   Novel photocatalyst incorporating Ni-Co layered double hydroxides with P-doped CdS for enhancing photocatalytic activity towards hydrogen evolution 期刊论文 APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 254, 页码: 145-155 - 收藏  |  浏览/下载：2/0  |  提交时间：2020/01/03 Photocatalysis  Ni-Co Layered double hydroxides  P-Doping CdS  DFT Calculations   Effect of vacancy on adsorption/dissociation and diffusion of H2S on Fe(100) surfaces: A density functional theory study 期刊论文 APPLIED SURFACE SCIENCE, 2019, 卷号: 465, 页码: 833-845 - 收藏  |  浏览/下载：4/0  |  提交时间：2020/01/03 Density functional theory (DFT) calculations  Fe(100)  Vacancy defects  Dissociation energy barrier  Diffusion path   Atomic-Scale Insights into the Low-Temperature Oxidation of Methanol over a Single-Atom Pt-1-Co3O4 Catalyst 期刊论文 ADVANCED FUNCTIONAL MATERIALS, 2019, 卷号: 29 - 收藏  |  浏览/下载：9/0  |  提交时间：2020/01/03 developed oxygen vacancies  DFT calculations  mechanism  single-atom catalysts  VOC low-temperature oxidation   Synergistic effect between undercoordinated platinum atoms and defective nickel hydroxide on enhanced hydrogen evolution reaction in alkaline solution 期刊论文 NANO ENERGY, 2018, 卷号: 48, 页码: 590-599 - 收藏  |  浏览/下载：2/0  |  提交时间：2020/01/03 Undercoordinated Pt atoms  Defective nickel hydroxide nanosheets  Density functional theory calculations  Water dissociation  Platinum-manganese/nickel hydroxide catalyst   Copper Nanoflower Assembled by Sub-2 nm Rough Nanowires for Efficient Oxygen Reduction Reaction: High Stability and Poison Resistance and Density Functional Calculations 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 页码: 26233-26240 - 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03 copper nanoflower  sub-2 nm nanowires  oxygen reduction reaction  methanol tolerance and stability  density functional calculations   Synthesis of nitrogen and sulfur co-doped reduced graphene oxide as efficient metal-free cocatalyst for the photo-activity enhancement of CdS 期刊论文 APPLIED CATALYSIS B-ENVIRONMENTAL, 2018, 卷号: 236, 页码: 212-221 - 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03 Nitrogen and sulfur co-doped rGO  Photocatalysis  Hydrogen generation  4-nitrophenol reduction  DFT calculations   Formic acid decomposition on Pt-1/Cu (111) single platinum atom catalyst: Insights from DFT calculations and energetic span model analysis 期刊论文 APPLIED SURFACE SCIENCE, 2018, 卷号: 436, 页码: 631-638 - 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03 Formic acid decomposition  Cu (111)  Pt-1/Cu (111) single atom catalyst  Periodic density functional theory  calculations