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	Revealing the active phase of ZnFe2O4 catalyst for CO2 hydrogenation to methanol 期刊论文 APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY, 2025, 卷号: 378 作者: Zhang, Jian; Miao, Zezhong; Yang, Haiyan; Bu, Xianni; Wang, Hao Adobe PDF(13780Kb) \| 收藏 \| 浏览/下载：3/1 \| 提交时间：2025/06/17 Carbon dioxide hydrogenation Methanol synthesis ZnFe 2 O 4 catalysts Pretreatment effect First principles calculations
	A DFT study on the active surfaces of the ZnGa2O4 spinel catalyst for CO2 hydrogenation to methanol 期刊论文 MOLECULAR CATALYSIS, 2025, 卷号: 582 作者: Ziqi Tang; YuanJie Bao; Zhangqian Wei; Shenggang Li Adobe PDF(3952Kb) \| 收藏 \| 浏览/下载：15/1 \| 提交时间：2025/05/16 ZnGa2O4 spinel catalyst Methanol synthesis CO2 hydrogenation DFT calculations Active surfaces
	Surface charge induced flat band splitting in kagome lattice CsTi3Bi5 期刊论文 PHYSICAL REVIEW B, 2025, 卷号: 111, 期号: 20 作者: Jing, Wenchuan; Liu, Zhengtai; Jiang, Zhicheng; Ma, Haiyang; Xia, Wei 收藏 \| 浏览/下载：1/0 \| 提交时间：2025/06/17 Cesium alloys Charge density waves Hole mobility Quantum interference devices Single crystals Superlattices Band splitting Charge-density-waves First principle calculations Flat band High-resolution angle-resolved photoemission spectroscopies Intrinsic electronics Kagome lattice Quantum phenomena Surface termination Van Hove singularities
	The Characteristically Slow Proton Transfer Coupled to Platinum Oxidation in Alkaline Polyelectrolyte as Elucidated at the Molecular Level 期刊论文 ACS CENTRAL SCIENCE, 2025, 卷号: 11, 期号: 5, 页码: 791-796 作者: Huang, Mo-Li; Ling, Wenhui; Wang, Zhangrui; Lu, Yang; Shen, Hong-Ning Adobe PDF(5330Kb) \| 收藏 \| 浏览/下载：21/4 \| 提交时间：2025/05/12 Electrochemical sensors Electrolytic cells Green Synthesis Ligands Alkalines Electrochemical reactions Electrode interface Membrane electrodes Molecular levels NaOH solutions OH - Polyelectrolyte membranes Quantum chemical calculations Quantum-chemical calculation
	Weyl Fermion Manipulation Through Magnetic Transitions in the Ferromagnetic Non-Centrosymmetric Weyl Semimetal PrAlSi 期刊论文 ADVANCED ELECTRONIC MATERIALS, 2025 作者: Wang, Kaipu Adobe PDF(2400Kb) \| 收藏 \| 浏览/下载：23/0 \| 提交时间：2025/05/12 ab-initio calculations angle-resolved photoemission spectroscopy electronic structure magnetic transition topological weyl semimetal
	Observation of multiple surface states in naturally cleavable chiral crystal PdSbSe 期刊论文 PHYSICAL REVIEW MATERIALS, 2025, 卷号: 9, 期号: 3 作者: Jiang, Zhicheng; Liu, Zhengtai; Hua, Chenqiang; Liu, Xiangqi; Yang, Yichen Adobe PDF(2632Kb) \| 收藏 \| 浏览/下载：32/1 \| 提交时间：2025/04/25 Atomic emission spectroscopy Chirality Crystal symmetry Fermi surface Photoacoustic spectroscopy Single crystal surfaces Chiral crystals Density-functional theory calculations Flatter surfaces High-resolution angle-resolved photoemission spectroscopies Multiple surfaces Nontrivial topology Physical phenomena Structure property Symmetry breakings Topological properties
	Prediction of the Dual Quantum Spin Hall Insulator in the NbIrTe₄ Monolayer 期刊论文 CHINESE PHYSICS LETTERS, 2025, 卷号: 42, 期号: 3 作者: Liu, Xiangyang; Lai, Junwen; Zhan, Jie Adobe PDF(2124Kb) \| 收藏 \| 浏览/下载：32/1 \| 提交时间：2025/04/14 Monolayers Nanocrystals Niobium compounds Spin density waves Spin Hall effect Tellurium compounds Topological insulators Band inversion Charge neutrality First principle calculations Neutrality point Quantum spin halls Recent progress Spin hall insulator Topological state Two-dimensional materials Van Hove singularities
	Predictions of high-temperature superconducting ternary hydrides under high pressure using density functional calculations 期刊论文 PHYSICAL REVIEW B, 2025, 卷号: 111, 期号: 5 作者: Zhu, Bangshuai; Shao, Dexi; Pei, Cuiying; Wang, Qi Adobe PDF(3323Kb) \| 收藏 \| 浏览/下载：67/1 \| 提交时间：2025/03/14 Barium compounds - Bond strength (chemical) - Cadmium alloys - Cadmium compounds - Chlorine compounds - Germanium compounds - High pressure effects in solids - Hydrogen bonds - Indium phosphide - Technetium compounds Chemical compositions - Density-functional calculations - Element substitution - High pressure - High temperature superconducting - High-temperature superconductor - Low pressures - Metal elements - Prototype structures - Ternary hydrides
	Confined synthesis and thermal conductivity of deuterated graphene nanoribbons 期刊论文 CARBON, 2025, 卷号: 233 作者: 收藏 \| 浏览/下载：254/0 \| 提交时间：2024/11/29 Graphene nanoribbon Armchair graphene nanoribbons Confined synthesis Deuterations Experimental validations Graphene nanoribbons Graphenes Isotopic labeling Synthesised Theoretical calculations Thermal
	Novel superhard orthorhombic O12 carbon: a first principle study 期刊论文 PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 12 作者: Wang, Hao; Du, Mingrun; Wan, Linxuan; Zhang, Ying; Wang, Changying Adobe PDF(1297Kb) \| 收藏 \| 浏览/下载：328/5 \| 提交时间：2024/11/19 first-pinciples calculations mechanical properties electric properties orthorhombic O12 carbon

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