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	Layer-by-layer growth of bilayer graphene single-crystals enabled by proximity catalytic activity 期刊论文 NANO TODAY, 2024, 卷号: 59 作者: Adobe PDF(8154Kb) \| 收藏 \| 浏览/下载：368/7 \| 提交时间：2024/10/11 Crystal growth from melt Epitaxial growth Hard facing High resolution transmission electron microscopy In situ processing Metallorganic chemical vapor deposition Monolayers Scale (deposits) Single crystal surfaces Steam cracking Van der Waals forces Chemical vapour deposition DFT calculation Environmental scanning Frank-van der merwe growth Graphenes In-situ transmission electron microscopies Layer by layer Platinum surface Two-dimensional Two-dimensional materials
	Germacrane-type sesquiterpenes from Artemisia atrovirens and their anti-inflammatory activity 期刊论文 FITOTERAPIA, 2024, 卷号: 179 作者: Tang, Chunping; Zheng, Yongzhe; Shao, Zhengguang; Ke, Chang-Qiang; Feng, Zheling Adobe PDF(3306Kb) \| 收藏 \| 浏览/下载：274/3 \| 提交时间：2024/10/28 Artemisia atrovirens Atrovirenolides C -I Atrovirenoic acid G Diatrovirenolides A -B DFT NMR calculation TDDFT ECD calculation
	Germacrane-type sesquiterpenes from Pilea cavaleriei Levl. subsp. cavaleriei 期刊论文 FITOTERAPIA, 2024, 卷号: 177 作者: Adobe PDF(1519Kb) \| 收藏 \| 浏览/下载：280/1 \| 提交时间：2024/07/15 Pilea cavaleriei Levl. subsp. cavaleriei Cavalinols A -K Germacrane type DFT NMR calculation TDDFT ECD calculation
	Adjacent Axial Ligand Enables Secondary Coordination Effects in Metal-Nitrogen-Carbon Towards Improved Scaling Relation of Oxygen Electrocatalysis 预印本 2024 作者: Adobe PDF(1640Kb) \| 收藏 \| 浏览/下载：276/63 \| 提交时间：2024/05/15 heterogeneous catalysis scaling relation secondary coordination effects DFT calculation
	A DFT study on the copper-single-atom modified 2D electride Ca2N monolayer for ethanol dehydrogenation 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 51, 页码: 970-981 作者: Ma, Yuli; Lang, Junyu Adobe PDF(3325Kb) \| 收藏 \| 浏览/下载：332/3 \| 提交时间：2024/01/19 Atoms Calcium compounds Catalysis Catalysts Coordination reactions Copper Dehydrogenation Density functional theory Ethanol Monolayers 2d ca2N Cu single atom DFT calculation DFT study Electrides Ethanol dehydrogenation Interlayer spaces Single-atoms Two-dimensional ]+ catalyst
	Propane dehydrogenation by atomically thin platinum layer on pristine two-dimensional MXenes 期刊论文 JOURNAL OF CATALYSIS, 2023, 卷号: 425, 页码: 333-344 作者: Chu, Changqing; Chen, Baoyu; Li, Shenggang; Sun, Yuhan; Liu, Ke Adobe PDF(3402Kb) \| 收藏 \| 浏览/下载：322/0 \| 提交时间：2023/07/21 Catalyst activity Dehydrogenation Electronic structure Lattice constants Platinum Catalyst descriptors DFT calculation First principle calculations Metal layer Microkinetic simulation Microkinetics Mxenes Propane dehydrogenation Pt atomically thin noble metal layer Two-dimensional
	Insights into coverage-affected selective catalytic oxidation of ethylene on Ag(111) from comprehensive microkinetic analyses 期刊论文 CATALYSIS SCIENCE AND TECHNOLOGY, 2023, 卷号: 13, 期号: 12, 页码: 3689-3700 作者: Wang, Zhuozheng; Xie, Wenbo; Xu, Yarong; Jia, Menglei; Xu, Jiayan Adobe PDF(2510Kb) \| 收藏 \| 浏览/下载：930/214 \| 提交时间：2023/07/21 Catalytic oxidation Reaction kinetics Adsorption state DFT calculation Ethylene epoxidation Industrial reactions Microkinetic analysis Microkinetic modeling Microkinetics Model-based OPC Selective catalytic oxidation Transition state
	2D SnO/MoO3 van der Waals heterojunction with tunable electronic behavior for multifunctional applications: DFT calculations 期刊论文 APPLIED SURFACE SCIENCE, 2023, 卷号: 611 作者: Ma, Yuli; Lang, Junyu Adobe PDF(5691Kb) \| 收藏 \| 浏览/下载：362/1 \| 提交时间：2022/12/02 2D SnO/MoO3 vdW heterojunction CO2 reduction DFT calculations Electronic structure Multi-functional applications Band structure Calculations Carbon dioxide Charge transfer Density functional theory Design for testability Electric fields Heterojunctions Metals Molybdenum compounds Van der Waals forces 2d SnO/MoO3 van der waal heterojunction Band alignments CO 2 reduction DFT calculation Electronic.structure Functional applications Metal-oxide Multi-functional Multi-functional application Van der Waal
	Asymmetric copper-catalyzed alkynylallylic dimethylamination 期刊论文 ORGANIC CHEMISTRY FRONTIERS, 2023, 卷号: 11, 期号: 3, 页码: 690-695 作者: Luo, Si-Yuan; Lin, Guo-Qiang; He, Zhi-Tao Adobe PDF(1258Kb) \| 收藏 \| 浏览/下载：242/0 \| 提交时间：2024/01/19 Amines Catalysis Copper Enantioselectivity Copper catalyzed DFT calculation Dialkylamines Dimethylamines Mechanistics Primary and secondary amine Regioselectivity and enantioselectivity Tertiary amine
	Atomic Tuning of Single-Atom Fe-N-C Catalysts with Phosphorus for Robust Electrochemical CO2 Reduction 期刊论文 NANO LETTERS, 2022, 卷号: 22, 期号: 4, 页码: 1557-1565 作者: Li, Ke; Zhang, Shengbo Adobe PDF(5577Kb) \| 收藏 \| 浏览/下载：457/0 \| 提交时间：2022/03/18 Atoms Carbon black Density functional theory Design for testability Electrocatalysts Electrolytic reduction Free energy Iron compounds Phosphorus Product design X ray absorption spectroscopy CO2RR DFT calculation Ex situ Ex-situ XAS Fe atoms Fe-N/P-C Single-atom catalyst Single-atoms situ-XAS ]+ catalyst

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