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	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: 582C, 页码: 115166 作者: Ziqi Tang; YuanJie Bao; Zhangqian Wei; Shenggang Li Adobe PDF(3952Kb) \| 收藏 \| 浏览/下载：5/1 \| 提交时间：2025/05/16 ZnGa2O4 spinel catalyst Methanol synthesis CO2 hydrogenation DFT calculations Active surfaces
	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; Shi, Wujun; Cao, Weizheng; Yang, Xiaotian; Lv, Zhengyang Adobe PDF(2400Kb) \| 收藏 \| 浏览/下载：21/0 \| 提交时间：2025/05/12 ab-initio calculations angle-resolved photoemission spectroscopy electronic structure magnetic transition topological weyl semimetal
	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 作者: Adobe PDF(5330Kb) \| 收藏 \| 浏览/下载：20/4 \| 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
	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; Yu, Tianye; Shi, Wujun Adobe PDF(2124Kb) \| 收藏 \| 浏览/下载：29/1 \| 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
	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：29/1 \| 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
	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; Wu, Juefei Adobe PDF(3323Kb) \| 收藏 \| 浏览/下载：64/1 \| 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: Chen, Yingzhi; Zhang, Wendi; Tang, Kunpeng; Cao, Kecheng; Shi, Lei 收藏 \| 浏览/下载：246/0 \| 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：322/5 \| 提交时间：2024/11/19 first-pinciples calculations mechanical properties electric properties orthorhombic O12 carbon
	Large Band Splitting in g -Wave Altermagnet CrSb 期刊论文 PHYSICAL REVIEW LETTERS, 2024, 卷号: 133, 期号: 20 作者: Ding, Jianyang; Jiang, Zhicheng; Chen, Xiuhua; Tao, Zicheng Adobe PDF(7064Kb) \| 收藏 \| 浏览/下载：306/47 \| 提交时间：2024/12/13 Antiferromagnetic materials Ferromagnetic materials Ferromagnetism Liquid crystals Manganites Neel temperature Photoacoustic spectroscopy Photoelectron spectroscopy Seismic waves Semiconducting manganese compounds Single crystals Spintronics Band splitting Density-functional theory calculations Experimental verification High-resolution angle-resolved photoemission spectroscopies Large band Large spin Magnetic state Property Research focus Spin splittings
	p-Type AgAuSe Quantum Dots 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 46, 页码: 31799-31806 作者: Tang, Zhiyong; Wang, Zhixuan; Yang, Hongchao; Ma, Zhiwei; Zhang, Yejun Adobe PDF(7159Kb) \| 收藏 \| 浏览/下载：178/2 \| 提交时间：2024/11/28 Aluminum arsenide Atomic emission spectroscopy Gallium compounds Heterojunctions Mercury amalgams Nanocrystals Semiconducting indium phosphide Semiconductor doping Ultraviolet photoelectron spectroscopy X ray photoelectron spectroscopy Device application Doping strategies First principle calculations Level shift Metal free Optoelectronics devices P-type P/n homojunctions Toxic heavy metals X-ray photoelectrons

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