Precision Dual-Atom Catalysts for Carbon–Nitrogen Coupling and Sustainable e-Urea Synthesis (Dual PhD Programme) University of Liverpool in United Kingdom

This PhD project, 'Precision Dual-Atom Catalysts for Carbon–Nitrogen Coupling and Sustainable e-Urea Synthesis,' is part of a unique 4-year Dual PhD degree programme between the University of Liverpool (UK) and National Tsing Hua University (NTHU, Taiwan). Successful candidates will earn two PhD awards from internationally recognised institutions, gaining access to large-scale national facilities and building a global network across two continents.

Urea is a vital nitrogen–carbon compound used in fertilisers, polymers, and pharmaceuticals. The current industrial process (Bosch–Meiser) is energy-intensive and fossil-fuel dependent, contributing significantly to global CO₂ emissions. The e-UREA project aims to revolutionise urea production by developing a clean, decentralised, electrically driven process that converts CO₂ and nitrate into urea under ambient conditions. The main challenge is the inefficient C–N coupling between CO₂ and NO₃⁻, which limits industrial deployment.

This PhD combines high-throughput computational modelling, machine-learning-guided catalyst design, and electrochemical experimental validation to create efficient dual-active-site electrocatalysts. The dual-atom concept involves a CO₂-active metal (e.g., Cu or Zn) converting CO₂ into electrophilic *CO, while a second metal (e.g., Fe, Co, Mo, or Ti) reduces nitrate and stabilises *NHₓ species. These atoms are embedded in a nitrogen-doped carbon matrix, with engineered N-coordination, curvature, and strain to optimise their electronic interactions and separation. The project will establish design rules for electronically synergistic catalysts that favour the C–N coupling step required for urea formation.

Beyond catalyst development, e-UREA will establish an open digital infrastructure for sustainable catalyst discovery and strengthen UK–Taiwan collaboration in clean chemical manufacturing. The project advances UN Sustainable Development Goal 9 by integrating data-driven design, renewable energy conversion, and low-carbon production methods.

The PhD is delivered through the dual NTHU–University of Liverpool programme. Students spend the first two years in Liverpool (supervised by Dr Xue Yong) and the following two years at NTHU (supervised by Dr Yung-Tin (Frank) Pan). The researcher will gain multidisciplinary expertise in computational chemistry, artificial intelligence, and electrochemical engineering—skills essential for future sustainable industries.

Funding includes full tuition fee waivers at both institutions, a maintenance stipend (TWD 15,233/month in Taiwan; UKRI rate £20,780/year in Liverpool), and a Research Training Support Grant for consumables and conference attendance. The studentship is open to both home and international applicants, with limited scholarships for outstanding international students. The University of Liverpool is committed to diversity and inclusion, offering reasonable project adaptations and additional support for students with disabilities or caring responsibilities.

Applicants should have a strong academic background in chemistry, chemical engineering, materials science, or related fields. Multidisciplinary skills in computational chemistry, AI, and electrochemical engineering are desirable. Applications should be submitted via the University of Liverpool's online postgraduate research application form, including the project title and reference number NTHU010. The deadline for applications is March 15, 2026.