用于可持续应用的多相催化剂的理性设计

该项目致力于通过先进的量子化学计算与微动力学建模，设计高效的异质光催化剂以进行光催化转化，从而实现氢气生产，旨在提升太阳能转化为化学能的效率，从而应对全球能源挑战并推动可持续发展。

About the project This project aims to rationally design efficient heterogeneous catalysts for sustainable application, including photocatalytic transformation for hydrogen production from water splitting and photoreforming. Objectives include analysing catalyst surface chemistry, building predictive microkinetic models, and define new catalyst architectures. Photocatalytic transformations offer an elegant and powerful route for converting solar energy into chemical energy. These processes enable sustainable pathways such as hydrogen production via water splitting or reforming of organic compounds, as well as the reduction of CO₂ into value-added chemicals. However, conventional photocatalysts such as titanium dioxide, often suffer from low efficiency, particularly due to their limited activity under visible light irradiation. This project aims to design and develop novel heterogeneous photocatalysts capable of operating efficiently under visible light. To achieve this ambitious goal, we will employ an integrated strategy, combining advanced quantum chemical calculations with microkinetic modelling to guide the discovery and mechanistic understanding of a new class of photocatalytic materials. These theoretical insights will be complemented and validated by targeted experimental investigations. The successful completion of this project will provide the scientific community with optimized catalytic systems for sustainable hydrogen production from organic feedstocks and offer promising technological solutions to current environmental and energy challenges. By advancing visible-light-driven photocatalysis, the project will contribute to addressing the global energy shortage while fostering broader societal awareness of sustainable hydrogen technologies. In the longer term, the proposed methodology will help illuminate alternative, environmentally responsible approaches to energy generation and resource utilization. This is a multidisciplinary project involving reaction engineering and first-principle kinetic analyses. You'll benefit from a top-level research environment, as well as acquire skills at the interface between catalysis and microkinetic modelling. We will offer advanced training in heterogeneous reaction engineering, microkinetic modelling and Density Functional Theory (DFT) software such as VASP, ONETEP, Gaussian09 and ORCA. You'll join a vibrant and well-established research group that is interested in the discovery and design of novel catalytic materials that address fundamental challenges in the chemical, environmental and energy landscape. The School of Chemistry and Chemical Engineering is committed to promoting equality, diversity inclusivity as demonstrated by our Athena SWAN award. We welcome all applicants regardless of their gender, ethnicity, disability, sexual orientation or age, and will give full consideration to applicants seeking flexible working patterns and those who have taken a career break. The University has a generous maternity policy, onsite childcare facilities, and offers a range of benefits to help ensure employees’ well-being and work-life balance. The University of Southampton is committed to sustainability and has been awarded the Platinum EcoAward.

入学要求 英国 2:1荣誉学位或同等国际学位，且所学专业为以下之一： 化学工程 化学 材料科学 相关学科 您必须具备跨学科工作的经验，拥有出色的实验室与计算技能，并采用实践性的方式解决问题。我们寻找具有高度积极性、责任心及创造力的人才，能够团队协作，并具备优秀的沟通能力。

资助：完全由资助（仅英国境内） 学费与资助 我们为英国本土学生和国际学生提供多种资助机会。符合条件的学生可通过“地平线欧洲”学费减免，自动免除国际学生学费与英国本土学生学费之间的差额。 大学通过竞争性遴选授予的校长助学金，为遴选排名靠前的申请人支付国际学生学费与英国本土学生学费之间的差额。 本校各学院通过竞争性遴选提供的博士奖助金，通常为遴选排名靠前的申请人支付按英国本土学生标准收取的学费，并提供生活津贴。 资助采用滚动授予方式，因此请尽早申请，以尽可能增加进入资助评选的机会。 如需了解更多信息，请访问我们的研究生研究资助页面。

如何申请 您需： 选择课程类型（研究型）、2027/28学年、工程与物理科学学院 选择全日制或非全日制 查找项目：博士 化学工程（6939） 在申请表第2部分填写导师姓名 申请材料应包括： 您的CV（个人简历） 2份学术推荐信 截至目前的学位课程成绩单和证书 英语语言资格证明（如适用）