Search Results - "Chen, Zhongfang"

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study by Zhao, Jingxiang, Chen, Zhongfang

“…The production of ammonia (NH3) from molecular dinitrogen (N2) under mild conditions is one of the most attractive and challenging processes in chemistry. Here…”
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Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction by Zhao, Jingxiang, Chen, Zhongfang

“…Replacing precious Pt-based catalysts with cheap and earth-abundant materials to facilitate the sluggish oxygen reduction reaction (ORR) at the cathode is…”
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Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts by Guo, Xiangyu, Gu, Jinxing, Lin, Shiru, Zhang, Shengli, Chen, Zhongfang, Huang, Shiping

“…Developing efficient catalysts for nitrogen fixation is becoming increasingly important but is still challenging due to the lack of robust design criteria for…”
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Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions by Zhang, Shengli, Yan, Zhong, Li, Yafei, Chen, Zhongfang, Zeng, Haibo

“…The typical two‐dimensional (2D) semiconductors MoS2, MoSe2, WS2, WSe2 and black phosphorus have garnered tremendous interest for their unique electronic,…”
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Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson’s ratio by Wang, Yu, Li, Feng, Li, Yafei, Chen, Zhongfang

“…Designing new materials with novel topological properties and reduced dimensionality is always desirable for material innovation. Here we report the design of…”
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Graphene-related nanomaterials: tuning properties by functionalization by Tang, Qing, Zhou, Zhen, Chen, Zhongfang

“…In this review, we discuss the most recent progress on graphene-related nanomaterials, including doped graphene and derived graphene nanoribbons, graphene…”
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PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts by Qiao, Man, Liu, Jie, Wang, Yu, Li, Yafei, Chen, Zhongfang

“…Direct production of H2 from photocatalytic water splitting is a potential solution to environmental pollution and energy crisis, and tremendous efforts have…”
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Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer by Ju, Lin, Tan, Xin, Mao, Xin, Gu, Yuantong, Smith, Sean, Du, Aijun, Chen, Zhongfang, Chen, Changfeng, Kou, Liangzhi

“…Efficient and selective CO 2 electroreduction into chemical fuels promises to alleviate environmental pollution and energy crisis, but it relies on catalysts…”
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Simultaneously Achieving High Activity and Selectivity toward Two-Electron O2 Electroreduction: The Power of Single-Atom Catalysts by Guo, Xiangyu, Lin, Shiru, Gu, Jinxing, Zhang, Shengli, Chen, Zhongfang, Huang, Shiping

“…On-site production of hydrogen peroxide (H2O2) using electrochemical methods could be more efficient than the current industrial process. However, due to the…”
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Planar Hypercoordinate Motifs in Two-Dimensional Materials by Wang, Yu, Li, Yafei, Chen, Zhongfang

“…Conspectus As one of the most important and versatile elements, carbon renders itself as one of the most fundamental and cutting-edge topics in chemistry,…”
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MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties by Li, Yafei, Zhou, Zhen, Zhang, Shengbai, Chen, Zhongfang

“…First-principles computations were carried out to predict the stability and magnetic and electronic properties of MoS2 nanoribbons with either zigzag- or…”
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Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities by Zhang, Shengli, Xie, Meiqiu, Li, Fengyu, Yan, Zhong, Li, Yafei, Kan, Erjun, Liu, Wei, Chen, Zhongfang, Zeng, Haibo

“…Optoelectronic applications require materials both responsive to objective photons and able to transfer carriers, so new two‐dimensional (2D) semiconductors…”
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Metallic VS2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries by Jing, Yu, Zhou, Zhen, Cabrera, Carlos R, Chen, Zhongfang

“…By means of density functional theory computations, we systematically investigated the adsorption and diffusion of lithium on the recently synthesized VS2…”
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Exohedral functionalization of endohedral metallofullerenes: Interplay between inside and outside by Jin, Peng, Li, Ying, Magagula, Saneliswa, Chen, Zhongfang

“…•An comprehensive review of recent progress on chemical functionalizations of EMFs.•A detailed survey of important reactions on the external surface of…”
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Spin Gapless Semiconductor−Metal−Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons by Li, Yafei, Zhou, Zhen, Shen, Panwen, Chen, Zhongfang

“…The geometries, formation energies, and electronic and magnetic properties of N-doping defects, including single atom substitution and pyridine- and…”
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Small Dopants Make Big Differences: Enhanced Electrocatalytic Performance of MoS2 Monolayer for Oxygen Reduction Reaction (ORR) by N– and P–Doping by Zhang, Huiying, Tian, Yu, Zhao, Jingxiang, Cai, Qinghai, Chen, Zhongfang

“…[Display omitted] The design and development of low-cost and highly efficient electrocatalysts for oxygen reduction reaction (ORR) is crucial to the…”
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Versatile Electronic Properties of VSe2 Bulk, Few-Layers, Monolayer, Nanoribbons, and Nanotubes: A Computational Exploration by Li, Fengyu, Tu, Kaixiong, Chen, Zhongfang

“…Density functional theory computations were performed to investigate the stabilities and magnetic and electronic properties of VSe2 bulk, few-layers,…”
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Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation by Li, Fengyu, Zhao, Jijun, Chen, Zhongfang

“…By means of first-principles computations, we investigated the catalytic capability of the Fe-anchored graphene oxide (Fe–GO) for CO oxidation with O2. The…”
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CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts by Li, Yafei, Zhou, Zhen, Yu, Guangtao, Chen, Wei, Chen, Zhongfang

“…The catalytic oxidation of CO on Fe-embedded graphene was investigated by means of first-principles computations. Fe atom can be constrained at a vacancy site…”
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Magnetic properties of atomic clusters and endohedral metallofullerenes by Zhao, Jijun, Huang, Xiaoming, Jin, Peng, Chen, Zhongfang

“…[Display omitted] •A comprehensive review of recent research progress on the magnetic properties of ligand-free clusters and endohedral metallofullerenes.•A…”
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