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Second Generation Nitrogen Doped Titania Nanoparticles:A Comprehensive Electronic and Microstructural Picture

中国化学:英文版 2014年第12期32卷 1195-1213页

作者： Francesca Spadavecchia Michele Ceotto Leonardo Lo Presti Chiara Aieta Iolanda Biraghi Daniela Meroni Silvia Ardizzone Giuseppe Cappellettia Dipartimentodi Chimica Universitàdegli Studidi MilanoVia Golgi 1920133 MilanoItaly Consorzio Interuniversitario Nazionaleperla Scienzaela Tecnologiadei Materiali(INSTM) Via Giusti 950121 FirenzeItaly Istitutodi Scienzee Tecnologie Molecolari Italian CNRVia Golgi 1920133 MilanoItaly Center for Materials Crystallography Aarhus UniversityLangelandsgade 1408000 AarhusDenmark

A state-of-the-art overview of N-dopant characterizations in nano-TiO_(2)second-generation photocatalysts is *** related literature is very rich and sometimes offers contrasting *** we critically discuss up-to-date literature results and our own findings,as retrieved by several experimental(BET,HR-TEM,XPS,DRS,HR-XRPD,EXAFS,electrochemical tools)and theoretical(periodic DFT)*** intent is to pull together outcomes from very different and complementary sources to make an as much as possible coherent picture of the morphological,electrochemical and electronic properties of N-TiO_(2)*** is commonly accepted that critical issues to be considered in the design of high-performing N-TiO_(2)photocatalysts are synthetic strategy,defect concentration and chemical nature of the lattice point *** focus on the latter two issues,with emphasis on sol-gel prepared materials,according to the specific area of expertise of our *** problem of the chemical nature of guest N species into the lattice is crucial,as substitutional(N_(s))or interstitial(N_(i))nitrogen place their valence states just above the valence band or deeper into the band ***,we show how synergism among experimental and theoretical techniques is decisive to disentangle structural,electronic and morphological effects in complex N-doped TiO_(2)matrices.

关键词： point defects flatband potential photovoltage photocurrent DFT calculations

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Insight into the influence of high temperature annealing on the onset potential of Ti-doped hematite photoanodes for solar water splitting

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Chinese Chemical Letters 2018年第6期29卷 791-794页

作者： Yaodong Zhu Qinfeng Qian Guozheng Fan Zhili Zhu Xin Wang Zhaosheng Li Zhigang Zou Collaborative Innovation Center of Advanced Microstructures National Laboratory of Solid State Microstructures and College of Engineering and Applied Sciences Nanjing University

For Ti-doped hematite photoanodes, high temperature annealing drastically increases the water oxidation plateau photocurrent, but also induces an anodic shift of onset potential by about 100 m V, thus hindering the performance under low applied bias. To the best of our knowledge, the effects of high temperature annealing on the onset potential have been rarely studied. Herein, both X-ray photoelectron spectroscopy（XPS） measurements and theoretical calculations indicated that the increase of surface Ti/Fe atomic ratio after high temperature annealing decreased the adsorption capacity of hydroxide ions on the hematite surface. Subsequently, the flatband potential（i.e., the theoretical onset potential） of Ti doped hematite photoanodes positively shifted, which was supported by the Mott-Schottky measurements.

关键词： Onset potential Hematite Ti doping High temperature annealing flatband potential DFT calculation

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