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Anomalous metastable hcp Ni nanocatalyst induced by non-metal N doping enables promoted ammonia borane dehydrogenation

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Journal of Energy Chemistry 2023年第4期79卷 72-82页

作者： Ping Li Yuqi Huang Quhua Huang Ran Chen Jixin Li Shuanghong Tian School of Environmental Science and Engineering Sun Yat-sen UniversityGuangzhou 510275GuangdongChina Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology Guangzhou 510275GuangdongChina

Developing high-performing non-noble transition metal catalysts for H_(2) evolution from chemical hydrogen storage materials is of great significance for the hydrogen economy system, yet challenging. Herein,we present for the first time that anomalous metastable hexagonal close-packed Ni nanoparticles induced by heteroatom N doping encapsulated in carbon(N-hcp-Ni/C) can exhibit admirable catalytic performance for ammonia borane(AB) dehydrogenation, prominently outperforming conventional fcc Ni counterpart with similar morphology and favorably presenting the state-of-the-art level.Comprehensive experimental and theoretical studies unravel that unusual hcp phase engineering of Ni together with N doping could induce charge redistribution and modulate electronic structure, thereby facilitating H_(2)O adsorption and expediting H_(2)O dissociation(rate-determining step). As a result, AB dehydrogenation can be substantially boosted with the assistance of N-hcp-Ni/C. Our proposed strategy highlights that unconventional crystal phase engineering coupled with non-metal heteroatom doping is a promising avenue to construct advanced transition metal catalysts for future renewable energy technologies.

关键词： Hcp Ni non-metal doping Phase engineering Electronic regulation Ammonia borane dehydrogenation

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Enhancing visible-light photocatalytic activity of α-Bi_2O_3 via non-metal N and S doping

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Chinese Physics B 2014年第3期23卷 560-565页

作者：尚军高远郝维昌井溪信会菊王亮冯海凤王天民 Center of Materials Physics and Chemistry and Department of Physics Beihang University

In recent years, some important research indicated that the visible-light activity of photocatalysts could be enhanced via incorporating p-block non-metal elements into the lattice. In this paper, we investigated the electronic structures of pure and different non-metal （C, N, S, F, Cl, and Br） doped α-Bi2O3 using first-principles calculations based on the density functional theory. The band structures, the electronic densities of states, and the effective masses of electrons and holes for doped α-Bi2O3 were obtained and analyzed. The N and S dopings narrowed the band gap and reduced the effective mass of the carriers, which are beneficial for the photocatalytic performance. The theoretical predication was further confirmed by the experimental results.

关键词： α-Bi2O3 first-principles calculation non-metal doping photocatalytic performance

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Waste-yeast biomass as nitrogen/phosphorus sources and carbon template:Environment-friendly synthesis of N,P-Mo_(2)C nanoparticles on porous carbon matrix for efficient hydrogen evolution

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Chinese Chemical Letters 2022年第6期33卷 3231-3235页

作者： Jiayuan Yu Wanqiang Yu Bin Chang Xiao Li Jin Jia Dufu Wang Zhinian Xu Xiaoli Zhang Hong Liu Weijia Zhou Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of Shandong Institute for Advanced Interdisciplinary Research(iAIR)University of JinanJi'nan 250022China Shandong Best Environmental Technology Co. Ltd.Ji'nan 250J01 China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China State Key Laboratory of Crystal Materials Shandong UniversityJi'nan 250100China

Tailor-made advanced electrocatalysts with high active and stable for hydrogen evolution reaction(HER)play a key role in the development of hydrogen economy.Herein,a N,P-co-doped molybdenum carbide confined in porous carbon matrix(N,P-Mo_(2)C/NPC)with a hierarchical structure is prepared by a resources recovery process.The N,P-Mo_(2)C/NPC compound exhibits outstanding HER activity with a low overpotential of 84 mV to achieve 10 mA/cm^(2),and excellent stability in alkaline media.The electrochemical measurements confirm that the enhanced HER activity of N,P-Mo_(2)C/NPC is ascribe to the synergy of N,P-codoped and porous carbon matrix.Density functional theory calculations further reveal that the electron density of active sites on Mo_(2)C can be regulated by the N/P doping,leading to optimal H adsorption strength.In this work,the proof-of-concept resource utilization,a microorganism derived molybdenum carbide electrocatalyst for HER is fabricated,which may inaugurate a new way for designing electrocatalysts by the utilization of solid waste.

关键词： Hydrogen evolution reaction Molybdenum carbide non-metal doping Resource utilization Solid waste management

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