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Dopant-vacancy activated tetragonal transition metal selenide for hydrogen evolution electrocatalysis

Chinese Chemical Letters 2023年第7期34卷 249-255页

作者： Qiuyan Huang Xin Liu Ze Zhang Lianli Wang Beibei Xiao Zhimin Ao School of Energy and Power Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Materials Science and Engineering Xi'an University of Science and TechnologyXi'an 710054China Advanced Interdisciplinary Institute of Environment and Ecology Beijing Normal UniversityZhuhai 519087China

Hydrogen production from water electrolysis using renewable electricity is a highly promising route to solve the energy crisis of human society. The tetragonal 3d-transition metal selenide with metallic feature has been discovered to efficiently catalyze the hydrogen evolution electrocatalysis;however, its performance is still unsatisfactory and further improvement is necessary. Herein, the hydrogen evolution reaction of the functional tetragonal 3d-transition metal selenide with the heteroatom-dopant as well as cationic vacancy is fully investigated by means of density functional theory calculations. Our results identify 53 promising candidates endowed with good activity due to the absolute free energy of hydrogen adsorption |ΔGH| ≤ 0.30 eV wherein 15 candidates with |ΔG_H| ≤ 0.09 eV possess compelling performance in comparison with the benchmark Pt material. Interestingly, the functional CuSe systems account for 29out of 53 candidates, being high attractive for experimental synthesis. According to the analysis of electronic structure, the enhanced performance stems from the upshift of the sp orbitals, which benefits for the improved affinity toward hydrogen capture. This work provides new direction and guidance for the design of novel electrocatalysts.

关键词： Hydrogen evolution reaction transition metal selenide Heteroatom-dopant Density functional theory calculations

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3D mesoporous rose-like nickel-iron selenide microspheres as advanced electrocatalysts for the oxygen evolution reaction

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Nano Research 2018年第4期11卷 2149-2158页

作者： Jiahao Yu Gongzhen Cheng Wei Luo College of Chemistry andMolecularSciences Wuhan University Wuhan 430072 China Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) Nankai University Tianjin 300071 China

The development of efficient and stable non-noble metal-based electrocatalysts for the oxygen evolution reaction （OER） is one of the essential challenges for the upcoming hydrogen economy. Herein, three-dimensional （3D） mesoporous nickel iron selenide with rose-like microsphere architecture was directly grown on Ni foam via a successive two-step hydrotherrnal method. The unique 3D mesoporous rose-like morphology leads to a higher number of active sites as well as fast mass and electron transport through the entire electrode, and facilitates the release of 02 bubbles formed during the OER catalysis. As a result, the synthesized Ni0.76Fe0.24Se exhibits superior OER performances, with an ultralow overpotential of 197 mV needed to produce a current density of 10 ***-2 in 1 M KOH, outperforming all transition metal selenide OER catalysts reported to date.

关键词： transition metal selenide oxygen evolution reaction NiFeSe three-dimensional (3D) rose-like microspheres

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Unraveling the stabilization mechanism of solid electrolyte interface on ZnSe by rGO in sodium ion battery

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Journal of Energy Chemistry 2021年第3期30卷 124-130页

作者： Shuang Men Hui Zheng Dejun Ma Xiaolian Huang Xiongwu Kang School of Environment and Energy South China University of TechnologyGuangzhou 510006GuangdongChina Department of Chemical Engineering Northwest UniversityXi'an 710069ShaanxiChina School ofPhamacy Guangdong Pharmaceutical UniversityGuangzhou 510006GuangdongChina College of Chemistry and Chemical Engineering Guangzhou UniversityGuangzhou 510006GuangdongChina

transition metal selenides have been widely studied as anode materials of sodium ion batteries(SIBs),however,the investigation of solid-electrolyte-interface(SEI)on these materials,which is critical to the electrochemical performance of SIBs,remains at its *** in this paper,ZnSe@C nanoparticles were prepared from ZIF-8 and the SEI layers on these electrodes with and without reduced graphene oxide(rGO)layers were examined in details by X-ray photoelectron spectroscopies at varied charged/discharged *** is observed that fast and complicated electrolyte decomposition reactions on ZnSe@C leads to quite thick SEI film and intercalation of solvated sodium ions through such thick SEI film results in slow ion diffusion kinetics and unstable electrode ***,the presence of rGO could efficiently suppress the decomposition of electrolyte,thus thin and stable SEI film was ***@C electrodes wrapped by rGO demonstrates enhanced interfacial charge transfer kinetics and high electrochemical performance,a capacity retention of 96.4%,after 1000 cycles at 5 A/*** study might offer a simple avenue for the designing high performance anode materials through manipulation of SEI film.

关键词： ZIF-8 Zinc selenide transition metal selenide Reduced graphene oxide XPS Solid electrolyte interface Sodium ion batteries

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