Overview
This project is part of a 4 year Dual PhD degree programme between the National Tsing Hua University (NTHU) in Taiwan and the University of Liverpool in England. As Part of the NTHU-UoL Dual PhD Award students are in the unique position of being able to gain 2 PhD awards at the end of their degree from two internationally recognised world leading Universities. As well as benefiting from a rich cultural experience, Students can draw on large scale national facilities of both countries and create a worldwide network of contacts across 2 continents.
About this opportunity
Urea is an essential nitrogen–carbon compound used worldwide in fertilisers, polymers, and pharmaceuticals. Today, it is manufactured through the Bosch–Meiser process, which reacts ammonia with carbon dioxide at high temperature and pressure. This fossil-fuel-dependent route consumes about 1.6 % of global energy and generates major CO₂ emissions. The e-UREA project aims to transform this process by developing a clean, decentralised, and electrically driven alternative process that converts CO₂ and nitrate into urea under ambient conditions. Although the concept is promising, current systems are still limited by inefficient C–N coupling between CO₂ and NO₃⁻—the key step required to form urea and hindering industrial deployment.
To address this challenge, this PhD project 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 is built on a deliberate division of function: a CO₂-active metal such as Cu or Zn binds and converts CO₂ into electrophilic *CO, while a second metal—Fe, Co, Mo, or Ti—selectively reduces nitrate and stabilizes partially hydrogenated *NHₓ species. These two atoms are hosted within a nitrogen-doped carbon matrix. Variations in N-coordination, along with engineered curvature, twist, and strain, modulate the separation between the two metals (typically 2.5–3.5 Å) and tune their charge distribution and orbital interactions. Through the systematic study and control of these factors, the project will establish electronically synergistic design rules that favour the C–N coupling step required for urea formation.
Beyond producing a new catalyst, e-UREA will establish an open digital infrastructure for sustainable catalyst discovery and strengthen UK–Taiwan collaboration in clean chemical manufacturing. The project directly advances UN Sustainable Development Goal 9 (Industry, Innovation and Infrastructure) by integrating data-driven design, renewable-energy conversion, and low-carbon production methods.
This PhD is delivered through the dual NTHU–University of Liverpool programme. The first two years will be spent in Liverpool (Dr Xue Yong) and the following two years at NTHU (Dr Yung-Tin (Frank) Pan). The PhD researcher will gain multidisciplinary expertise spanning computational chemistry, artificial intelligence, and electrochemical engineering—skills essential for building the next generation of sustainable industries.