用于CO2利用的非均相催化剂预测设计

This project utilizes computational methods to assess the key properties of CO₂-conversion catalysts, focusing on how their structure affects performance. Insights gained will be modeled to enhance catalyst efficiency for converting CO₂ into valuable chemicals, contributing to sustainable manufacturing practices. A background in chemistry, especially in catalysis, is recommended.

About the project This industrially sponsored project will use computational methods to investigate the key properties that govern the performance of a CO₂-conversion catalyst. Working at the interface of academic research and industrial application, you'll identify how the catalyst’s structure influences its activity and selectivity, helping to guide the development of more effective CO₂-conversion processes. Developing sustainable and circular manufacturing processes will require new ways to make essential chemicals with less reliance on fossil-derived feedstocks. CO₂ is a promising alternative carbon source: previous research in our Group has demonstrated that it can be incorporated into valuable products, including surfactants and polymers. Using captured CO₂ in this way offers a route to keeping carbon in productive use while reducing the demand for virgin fossil resources. Realising that potential at industrial scale, however, depends on catalysts that convert CO₂ efficiently and selectively. By examining the steps involved in CO₂ activation and product formation, the project will seek to identify the factors that influence reaction rates, selectivity and catalyst stability. These insights will be brought together in a mechanistic model that explains how the catalyst works at the molecular level. The model will then inform the design and refinement of physical catalysts. Predictions about which structural features could improve performance will guide experimental work, while experimental results will help test and strengthen the computational understanding. This close connection between modelling and catalyst development aims to deliver more efficient chemistry for making useful products from CO₂. The project offers an opportunity to work across computational chemistry, catalysis and industrial research, contributing to the broader goal of turning CO₂ from a waste stream into a practical feedstock for circular chemical manufacturing. Training will be provided on both the experimental and computational aspects of the project, including catalyst synthesis, characterization, microkinetic and CFD modelling. The training program will also emphasize the development of communication and teamwork skills. Opportunities include presenting at national and international conferences and engaging in scientific writing and external representation alongside industrial partners and collaborators. 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 英国南安普顿大学化学或化学工程领域的2:1荣誉学位，或其国际等效学位。

资助：竞争性资助 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 搜索项目：哲学博士化学专业（7189） 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）