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恒电位电子输运对双电层中质子迁移的影响及机制研究
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Project Code 项目编号 SFXJTU2539 Brief introduction of the three supervisors (e.g. key academic background, work experience, research area, etc.) 三校导师简介，包括但不限于学术背景、工作经历及研究领域等 Dr. Graham Dawson joined XJTLU in March 2013. Before taking this position he worked at the Suzhou Institute of nanotechnology and Nanobionics (SINANO) as a postdoctoral research assistant then as an associate professor. During this time, Dr. Dawson was principal investigator of several provincial and national level projects. He is currently an Associate Professor and a Fellow of the Royal Society of Chemistry and a Senior Fellow of the Higher Education Academy, and his research interests lie in nanomaterials for photocatalysis, mostly concerning inorganic/organic heterostructers for increasing electro/hole separation lifetime. Graham Dawson：英国圣安德鲁斯大学化学博士、副教授、英国皇家化学会会士 (FRSC)/英国高等教育学会资深会士（SFHEA）。2006-2013年，中科研苏州纳米技术与纳米仿生研究所（SINANO）、副教授；2013年3月加入西交利物浦大学，担任西交利物浦大学化学系主任/理学院研究生项目主任。主持多项国家级和省级科研项目，主要研究新型纳米光催化材料的制备和应用。 Guo Ping Gao, Ph.D., graduated from Queensland University of Technology, Australia, and subsequently conducted postdoctoral research at the Lawrence Berkeley National Laboratory in the United States. He is currently an associate professor at the School of Physics, Xi’an Jiaotong University (XJTU Young Talent Program, Category B). His primary research focus is on constant potential electrochemical simulations. Dr. Gao contributed to the development of the grand canonical fixed potential method, which has been integrated into the commercial first-principles software PWmat. He has published 60 research papers in journals such as Science, J. Am. Chem. Soc., Adv. Energy Mater., Nat. Commun., Sci. Adv., Adv. Funct. Mater., ACS Catal., and Chem. Mater., with over 12,000 citations and an H-index of 37. He has received the "National Award for Outstanding Self-Financed Students Abroad" and the "Outstanding Doctoral Thesis Award" from Queensland University of Technology. He was also listed in the 2021–2024 global top 2% of scientists for "Annual Impact" rankings. For more details, please see: https://gr.xjtu.edu.cn/en/web/0020210188。 高国平，博士毕业于澳大利亚的昆士兰科技大学，之后在美国劳伦斯伯克利国家实验室从事博士后研究工作。现为西安交通大学物理学院副教授（西交青年拔尖人才B类）。主要研究领域为恒电势电化学模拟。参与开发的巨正则固定电势法已经集成到商业化的第一性原理软件PWmat中；已经在Science、J. Am. Chem. Soc.、Adv. Energy Mater.、Nat. Commun.、Sci. Adv.、Adv. Funct. Mater.、ACS Catal.和Chem. Mater.等期刊包括上共发表了60篇研究论文，他引次数为10000+次，H因子为35。；获 “国家优秀自费留学生奖”和昆士兰科技大学的“优秀博士论文奖”；入选2021-2024年全球前2%顶尖科学家“年度影响力”榜单。更详细介绍见：https://gr.xjtu.edu.cn/en/web/0020210188 Dr Qiuchen Dong received his Biomedical Engineering Ph.D.in the year of 2019 under the supervision of Dr Yu Lei. He continued his training with Dr Abdennour Abbas from 2020 to 2021 for a two and half year of Postdoctoral training programme. He joined in Xi’an Jiaotong-Liverpool University on 4th May 2021 and has been assigned with teaching duties for analytical chemistry, advanced analytical chemistry, physical chemistry and laboratory skills. His group focuses on the electron transport behaviour in controlled growth of crystal by using electrochemistry method based on gas sensing or biosensor system, as well as the mechanism study for electron transfer. These work has been used in the early diagnosis of disease and its machine learning methodologies study. To now, he has published over 43 peer-reviewed journal articles, including 9 as corresponding authors, 5 as first-authored papers and has applied 3 Chinese patents. The articles are published on Biosensors and Bioelectronics (J1, IF 10.5), Talanta (J2, IF 6.1), Electrochimica Acta (J2, IF 5.6), Microchimica Acta (J2, IF 5.3), ACS Langmuir (J2, IF 3.9) etc. related to the Biosensors and Bioelectronics as well as analytical chemistry. He has served as reviewers for ACS Applied Materials and Interface, Chemical Engineering Journal and many other journals. He has been cited over 1507 times with h-index of 18 according to Google Scholar. 董秋辰2019年获得美国康涅狄格大学生物医学工程专业博士学位，师从Yu Lei教授。后于2020年到2021年在明尼苏达大学Abdennour Abbas教授团队开展了2年半博士后研究工作。2021年5月4日加入西交利物浦大学化学系任助理教授，先后担任分析化学以及高级分析化学、物理化学，化学实验技能等课程的授课工作。本课题组目前专注于采用电化学方法进行金属氧化物的晶格可控生长在气体传感器，生物传感器等平台上进行电子转移行为和机理研究，这些工作被用作疾病等早期筛查和机器学习方法的探索。等目前累计发表同行评议论文43篇，以通讯作者身份发表文章9篇,以第一作者发表工作5篇,申请中国专利3项。文章主要发表于Biosensors and Bioelectronics（中科院1区,IF=10.5）, Talanta（中科院2区, IF=6.1）, Electrochimica Acta（中科院2区, IF=5.6）, Microchimica Acta（中科院2区,IF=5.3）, ACS Langmuir(中科院2区, IF=3.9)等生物传感器领域和分析化学领域。曾担任ACS Applied Materials and Interface, Chemical Engineering Journal等多个杂志的审稿人，目前被引1507, h-index 18。 Dr Alex Neale is a recent recipient of a UKRI Future Leaders Fellowship and academic appointee in the Department of Chemistry and Stephenson Institute for Renewable Energy, University of Liverpool (December 2025). Prior to this role, Alex completed his PhD at Queen’s University Belfast (2017) and subsequent post-doctoral research within the Stephenson Institute for Renewable Energy (Liverpool) focusing on the electrochemistry and spectroscopy of materials for Li-ion and next-generation battery chemistries. Alex’s current Fellowship research focusses on developing a more sustainable ammonia synthesis route via the lithium/metal-mediated nitrogen reduction reaction, using combined electrochemistry, vibrational spectroscopy, and microscopy to understand, control and optimise the reaction and materials for stability and efficiency. Alex Neale博士是UKRI 未来领导奖学金的获得者，同时自2025年12月开始也是英国利物浦大学化学系和史蒂芬斯可再生能源所的学术任职人员。在获得这一任职之前，Alex在2017年贝尔法斯特女王大学获得了博士学位，而后在史蒂芬斯可再生能源所进行博士后研究，主要专注于电化学和材料光谱在锂离子以及下一代电池化学中的应用研究。Alex最近获资助的研究主要专注于开发一个采用锂/金属调控氮还原反应，从而构建一个更加可持续的氨气制备路经。项目主要依托电化学，振动光谱学，显微镜来理解，调控和优化反应以及材料的稳定性和效率。 Key aspect/summary of your research project 项目简介 The migration of hydrogen protons within the electric double layer serves as a critical "logistics and supply" step in most electrochemical energy storage reactions. Investigating their migration behavior can not only reveal new mechanisms of electrochemical energy storage reactions but is also particularly important for addressing key technical challenges in fields such as designing high-performance catalysts and exploring interfacial processes in multi-scale, multi-component complex electrochemical systems. As the simplest charged ion in electrochemical reactions, hydrogen protons play essential roles in mass transfer and charge/energy exchange in key carbon-neutral energy storage reactions, such as electrolytic water splitting for hydrogen production, electrochemical CO2 reduction, and electrochemical ammonia synthesis. Furthermore, the migration rate of hydrogen protons within the electric double layer directly determines the overall efficiency of the energy storage reaction. Therefore, studying the migration behavior of hydrogen protons in the electric double layer is fundamental for understanding the microscopic kinetic properties of electrochemical reactions. Building on the our recent work on the hydrogen evolution reaction, this project will employ the grand canonical fixed potential method to investigate the influence of voltage on key physicochemical properties, such as the molecular structure of the electric double layer on a Pt(111) electrode surface, the energy barrier for water molecule reorganization, the energy barrier for hydrogen proton hopping, and the charge exchange between the electrolyte and the electrode during hydrogen proton migration. The aim is to provide guidance for addressing factors that limit hydrogen proton migration in electrochemical reactions. 双电层中质子迁移和体系与外电路之间电子输运将影响整个还原反应的选择性和能量转换机制。然而，恒电位下双电层中质子迁移是否会诱导电极与电源之间的电子输运，以及电子输运行为对质子迁移的影响机制尚不明确。本项目拟以金属与水组成的双电层为主要研究对象，发展优化基于第一性原理的巨正则固定电势法，解决传统第一性原理电化学模拟方法在恒电位质子迁移过程中体系与外电路之间电子输运行为难以模拟的难题，沿着双电层中质子迁移与电子输运之间的耦合行为这一主线，首先研究外电位对质子迁移过程中体系与外电路之间电子输运行为的影响，阐明质子迁移过程中电子-质子耦合协同转移机制；然后通过不同晶面、金属材料、界面水结构来探索电极材料功函数和界面水偶极矩对电子-质子之间耦合关系的影响。最终综合量化外电势、功函数和界面水偶极矩对质子迁移率的贡献，深入了解双电层中质子迁移行为，为改善质子迁移过程中发热耗能问题提供理论支撑。 有意者请将个人简历及其他有助于申请的材料发送至 graham.dawson@xjtlu.edu.cn 注:不用跟帖，直接发邮件，主题请注明博士申请。 |
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2026-09-01 14:39:07, 219.28 K
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