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Journal of Energy Chemistry 2018年第5期27卷 1415-1421页

作者： Kenta Kawashima Mirabbos Hojamberdiev Kunio Yubuta kazunari domen Katsuya Teshima Department of Chemistry The University of Texas at Austin Department of Materials Physics Nagoya University Institute for Materials Research Tohoku University Department of Chemical System Engineering School of Engineering The University of Tokyo Department of Environmental Science and Technology Faculty of Engineering Shinshu University Center for Energy and Environmental Science Shinshu University

Quinary oxynitride BaNb_0.5Ta_0.5O_2N crystals were fabricated through the partial nitridation and acidifica- tion of the KCI flux grown Ba_5Nb_2Ta_2O_15 crystals. The parameters of both the solute concentrations and cooling rates are optimized for the KCI flux growth of the larger Ba_5Nb_2Ta_2O_15 crystals with clearer crystal habits. Here, the optimal Ba_5Nb_2Ta_2O_15 crystals mainly have a hexagonal plate-like shape. After the par- tial nitridation and acidification, the porous BaNb_0.5Ta_0.5O_2N crystals maintained the crystal shape of the oxide precursor and had a single-crystalline nature. For the BasNb2Ta2015 crystals, the wavelength of the absorption edge was about 707 nm. Especially, the CoOx-Ioaded BaNb_0.5Ta_0.5O_2N photocatalyst demon- strated the comparatively high amount of O_2 gas （150.7 μmol） during the 5 h visible-light-induced sacri- ficial water oxidation half-reaction, which might be achieved due to the high crystallinity and visible-light absorotion property.

关键词： Substitution Flux method Perovskite Oxygen Photocatalyst Solar energy

Strategies and Methods of Modulating Nitrogen-Incorporated Oxide Photocatalysts for Promoted Water Splitting

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Accounts of Materials Research 2022年第4期3卷 449-460页

作者： Yunfeng Bao Can Li kazunari domen Fuxiang Zhang State Key Laboratory of Catalysis iChEMDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian National Laboratory for Clean EnergyDalian 116023 LiaoningChina University of Chinese Academy of Sciences Beijing 100049China Research Initiative for Supra-Materials Interdisciplinary Cluster for Cutting Edge ResearchShinshu UniversityNagano-shi 390-0802 NaganoJapan Office of University Professors The University of TokyoTokyo 153-8902Japan

CONSPECTUS:The conversion of solar energy to chemicals and the storage of this energy is one of the most promising routes to realizing a“carbon zero”society,for which particulate photocatalytic water splitting to produce hydrogen has been considered to be a clean potential *** this purpose,many d^(0)and d^(10)metal-based nitrogen-incorporated oxide(including nitrogen-doped oxide and oxynitride)semiconductor photocatalysts have been developed as good candidates to harvest major visible regions of solar light and to exhibit suitable energy levels to drive water *** to the oxide-type photocatalysts,valence bands of the nitrogen-incorporated oxide can be upshifted in consideration of the lower electronegativity of nitrogen atoms concerning the oxygen atoms.

关键词： concerning visible bands

Regression model for stabilization energies associated with anion ordering in perovskite-type oxynitrides

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Journal of Energy Chemistry 2019年第9期28卷 7-14页

作者： Masanori Kaneko Mikiya Fujii Takashi Hisatomi Koichi Yamashita kazunari domen Department of Chemical System Engineering School of Engineering The University of Tokyo7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan Center for Energy & Environmental Science Interdisciplinary Cluster for Cutting Edge Research Shinshu University4-17-1 Wakasato Nagano-shi Nagano 380-8553 Japan

Certain perovskite-type oxynitrides have bandgaps suitable for renewable hydrogen production via photocatalytic and photoelectrochemical water splitting under visible *** the ordering of oxide and nitride anions in these materials is important because this ordering affects their semiconductor ***, the numerous possible orderings complicate systematic analyses based on density functional theory(DFT) calculations using defined elemental *** work shows that anion ordering in large-scale supercells within perovskite-type oxynitrides can be rapidly predicted based on machine learning, using BaNbO2N(capable of oxidizing water under irradiation up to 740 nm) as an *** learning allows the calculation of the total energy of BaNbO2N directly from randomly selected initial atomic placements without costly structural optimization, thus reducing the computational cost by more than 99.99%.Combined with the Metropolis Monte Carlo method, machine learning permits exploration of the stable anion orderings of large supercells without costly DFT *** work therefore demonstrates a means of predicting the properties of functional materials having complex compositions based on the most realistic elemental arrangements in conjunction with reasonable computational loads.

关键词： Machine learning Total energy Bandgap Local anion ordering Density functional theory

Efficient visible-light-driven water oxidation by single-crystal Ta_(3)N_(5)nanoparticles

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Nano Research 2023年第4期16卷 4562-4567页

作者： Zheng Wang Jeongsuk Seo Takashi Hisatomi Mamiko Nakabayashi Jiadong Xiao Shanshan Chen Lihua Lin Zhenhua Pan Mary Krause Nick Yin Gordon Smith Naoya Shibata Tsuyoshi Takata kazunari domen Research Initiative for Supra-Materials Interdisciplinary Cluster for Cutting Edge ResearchShinshu University4-17-1 WakasatoNagano-shiNagano 380-8553Japan Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China Institute of Engineering Innovation The University of Tokyo2-11-16 YayoiBunkyo-kuTokyo 113-8656Japan Global Advanced Metals Inc. 1223 County Line RoadBoyertownPA 19512USA Office of University Professors The University of Tokyo2-11-16 YayoiBunkyo-kuTokyo 113-8656Japan

Ta3N5 is regarded as a promising photocatalyst for solar water splitting because of its excellent visible light absorption characteristics and simple *** Ta3N5 photocatalysts prepared from oxide precursors typically comprise aggregated polycrystalline particles with defects and grain boundaries that reduce the water oxidation activity of the *** the present work,well-dispersed Ta3N5 nanoparticulate single crystals were synthesized via a mild nitridation process using pure Ta metal nanopowder or Ta nanopowder mixed with *** resulting high-quality Ta3N5 nanoparticles,after loading with an oxygen evolution cocatalyst,exhibited impressively high photocatalytic performance during O_(2)evolution from a sacrificial AgNO3 solution,with an apparent quantum yield of 9.4%at 420 *** findings suggest a new approach to the facile fabrication of nanostructured single-crystal photocatalysts for efficient solar water splitting,based on the use of metal nanopowders.

关键词： Ta3N5 photocatalyst nanoparticle single crystal O_(2)evolution metallic Ta precursor

Metal selenides for photocatalytic Z-scheme pure water splitting mediated by reduced graphene oxide

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Chinese Journal of Catalysis 2019年第11期40卷 1668-1672页

作者： Shanshan Chen Takashi Hisatomi Guijun Ma Zheng Wang Zhenhua Pan Tsuyoshi Takata kazunari domen Center for Energy & Environmental Science Shinshu University 4-17-1 Wakasato Nagano-shi Nagano 380-8553 Japan Department of Chemical System Engineering School of Engineering The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan

Exploration of novel narrow bandgap semiconductors for overall water splitting is vital for the realization of practical solar H2 production. In the work, solid solutions of zinc selenide and copper gallium selenide with absorption edge wavelengths ranging from 480 to 730 nm were developed. Using these metal selenides as H2-evolving photocatalysts, CoOx/BiVO4 as the O2-evolving photocatalyst, and reduced graphene oxide as the electron mediator, all-solid-state Z-scheme overall pure water splitting systems were constructed. The rate of photocatalytic H2 evolution from aqueous solutions containing Na2S and Na2SO3 as the electron donors was evaluated while employing these selenide photocatalysts at various Zn/(Zn+Cu) and Ga/Cu molar ratios. The data demonstrate that efficient Z-scheme overall water splitting was significantly correlated to the photoelectrochemical performance of the selenide photocatalysts acting as photocathodes, rather than the photocatalytic activities of these materials during the sacrificial H2 evolution.

关键词： Hydrogen production Photocatalysis Selenide Water splitting Z-scheme

可见光作用下LaTaON_2催化剂光催化分解水制氢

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催化学报 2006年第7期27卷 556-558页

作者：刘美英由万胜雷志斌高田冈堂免一成李灿中国科学院大连化学物理研究所催化基础国家重点实验室辽宁大连116023 东京大学工学系研究科

采用高温氮化技术,以氯化铵为矿化剂合成了层状钙钛矿型LaTaON2光催化剂.与前驱体氧化物LaTaO4相比,LaTaON2的吸收边红移,在可见区呈现较强的吸收.在可见光作用下,乙醇为牺牲剂时,同时负载Pt和Ru的LaTaON2能催化分解水放出H2,且其光催... 详细信息

采用高温氮化技术,以氯化铵为矿化剂合成了层状钙钛矿型LaTaON2光催化剂.与前驱体氧化物LaTaO4相比,LaTaON2的吸收边红移,在可见区呈现较强的吸收.在可见光作用下,乙醇为牺牲剂时,同时负载Pt和Ru的LaTaON2能催化分解水放出H2,且其光催化产氢效率大大高于单独负载Pt或Ru的LaTaON2催化剂.

关键词：高温氮化镧钽氮氧化物铂钌可见光光催化水分解氢