钨钼铌钽基双金属氧化物DSC对电极原位化学共沉淀构筑及催化机理研究
结题报告
批准号:
51672208
项目类别:
面上项目
资助金额:
62.0 万元
负责人:
云斯宁
依托单位:
学科分类:
E0207.无机非金属半导体与信息功能材料
结题年份:
2020
批准年份:
2016
项目状态:
已结题
项目参与者:
杨春利、高当丽、李晶、张仙梅、张太宏、刘艳芳、方雯、后玉芝、周笑
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中文摘要
过渡金属化合物近年来已成为可替代贵金属的重要催化剂而倍受关注。催化活性是评价催化剂性能的重要指标,取决于催化剂的电子结构和界面特性。鉴于对催化机理认识的迫切需求,本项目拟采用原位共沉淀法合成一系列新型钨钼铌钽基双金属氧化物(DMO),首次提出将DMO作为DSC对电极,围绕“组成-构筑-结构-功效”进行一体化调控,开展电子结构/催化性能相关性的机理研究。采用第一性原理计算和分子动力学模拟,结合现代表面分析技术、光伏测试和阻抗谱技术,从宏观至原子水平揭示电子、离子在电解液/对电极两相界面的传输特性,阐明电子结构与催化性能的关系,建立DMO材料的协同催化机制;从原子分子水平上实现DMO的结构设计与功能调控,探索DMO可控制备和性能优化微观调控的新方法以大幅度提高对电极的整体工作性能,为商业化应用提供理论指导和技术支撑,并为氮化物、碳化物、硫化物等可控制备、性能优化、催化机制的研究提供一个新思路。
英文摘要
Transition metal compounds have attracted much attention due to their potential applications for replacing noble metal as important catalysts in the energy conversion and storage, hydrogen production, organic matter decomposition and pollution control. The catalytic activity is an important benchmark parameter evaluating the catalysts, which is decided by the electronic structure and interface properties of the catalysts. In this regard, understanding of the catalytic reaction mechanism at the liquid/solid interface is highly desired for the R&D of new catalysts. For this end, we will use an in-situ chemical co-precipitation method to design and synthesize a series of novel W-, Mo-, Nb- and Ta-based dual-metal oxides, which will be firstly applied as counter electrode (CE) catalysts in new generation dye-sensitized solar cells (DSC), and a systematic investigation of “composition-fabrication-structure-efficacy” will be performed based on the correlation of electrocatalytic properties with electronic structure of CE catalysts. Through first-principles density functional theory (DFT) and ab initio Car-Parrinello molecular dynamics (CPMD) calculations, combined with modern technologies of surface analysis, photovoltaic tests and electrochemical impedance spectroscopy(EIS), from macro- to atomic-levels, the transport properties of electron and ions at the electrolyte/CE interface is revealed, the relationship between the electronic structure and the catalytic activity of CE materials in DSC is simultaneously clarified, the synergistic catalytic mechanism of dual-metal oxides as catalysts in DSCs is subsequently established, structural design and functional modification of novel dual-metal oxides can be finally realized on an atomic and molecular level. A new method of the controlled preparation and optimized performance for dual-metal oxides will be further explored so that the work performance of CE in DSC devices can be improved by leaps and bounds. Once this project is successfully put into force, which will provide a new train of thought for nitrides, carbides and sulfides in the process of investigation of controlled preparation, optimized performance and catalytic mechanism, and which will also provide the scientific theory guidance and technique support for the commercialization of catalysts to promote the high-speed development of new solar cells.
太阳能作为资源最丰富的可再生能源,其开发利用成为近年来十分重要的研究课题。.新一代的太阳能电池已成为继硅基和薄膜太阳能电池之后该领域最重要的研究方向。.开发原创型太阳能电池及关键新材料是该领域的研究热点和未来的发展趋势。..催化活性是评价催化剂性能的重要指标,取决于催化剂的电子结构和界面特性。鉴于对催化机理认识的迫切需求,本项目成功合成了一系列新型钨钼铌钽基对电极催化材料体系并应用于新一代太阳能电池DSC,研究构建这类新型电催化材料的工艺特点和技术路线,进一步探索可控制备和性能调控的技术途径,探究多层次协同调控、性能优化的技术途径,获得的器件性能指标优于贵金属Pt对电极的性能指标,即:Jsc ≥ 14.5 mA cm-2;FF ≥ 0.65;Voc ≥ 0.70 V。..采用第一性原理计算和分子动力学模拟,结合现代表面分析技术、光伏测试和阻抗谱技术,从宏观至原子水平研究了电子离子在电解液/对电极两相界面的传输特性,阐明了电子结构与催化性能的关系,查明了构建高效低成本双金属氧化物对电极催化材料的新途径,为深入理解催化机制提出了一种普适策略,从原子分子水平上,实现了对催化材料进行整体协调的结构设计与功能调控。..项目的成功实施为未来新型催化材料的可控制备、性能优化、催化机制研究提供一个新思路,开辟一个新的研究方向,为商业化应用提供理论指导和技术支持。
期刊论文列表
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会议论文列表
专利列表
Honeycomb-like bio-based carbon framework decorated with ternary tantalum-based compounds as efficient and durable electrocatalysts for triiodide reduction reaction
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DOI:10.1002/er.5495
发表时间:2020
期刊:International Journal of Energy Research
影响因子:4.6
作者:Qiao Xinying;Yun Sining;Han Feng;Zhang Yongwei;Arshad Asim;Chidambaram Brundha;Wang Ziqi;Zafar Nosheen;Si Yiming;Li Jingwen
通讯作者:Li Jingwen
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发表时间:2017
期刊:中国材料进展
影响因子:--
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Mo2C-based binary and ternary nanocomposites as high-efficiency counter electrodes for dye-sensitized solar cells
Mo2C基二元和三元纳米复合材料作为染料敏化太阳能电池的高效对电极
DOI:10.1016/j.ceramint.2019.05.068
发表时间:2019-08
期刊:Ceramics International
影响因子:5.2
作者:Yun Sining;Hou Yuzhi;Wang Chen;Zhang Yangliang;Zhou Xiao
通讯作者:Zhou Xiao
Mesophilic anaerobic co-digestion of acorn slag waste with dairy manure in a batch digester: Focusing on mixing ratios and bio-based carbon accelerants
在间歇式消化器中对橡子渣废物与奶牛粪便进行中温厌氧共消化:重点关注混合比和生物基碳促进剂
DOI:10.1016/j.biortech.2019.121394
发表时间:2019
期刊:Bioresource Technology
影响因子:11.4
作者:Wang Ziqi;Yun Sining;Xu Hongfei;Wang Chen;Zhang Yangliang;Chen Jiageng;Jia Bo
通讯作者:Jia Bo
Tantalum-based bimetallic oxides deposited on spherical carbon of biological origin for use as counter electrodes in dye sensitized solar cells
沉积在生物来源的球形碳上的钽基双金属氧化物,用作染料敏化太阳能电池的对电极
DOI:10.1016/j.electacta.2019.04.086
发表时间:2019-06
期刊:Electrochimica Acta
影响因子:6.6
作者:Yun Sining;Zhou Xiao;Zhang Yangliang;Wang Chen;Hou Yuzhi
通讯作者:Hou Yuzhi
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