One of the challenges in the development of photoresist materials is the trade-off between resolution, line roughness and sensitivity, however, the underlying dynamics remain underexplored. Here, the authors combine Fermi’s Golden Rule for photoionization, natural orbital branching real-time TDDFT (NOB-rt-TDDFT) for excited-state dynamics, and ab initio molecular dynamics (AIMD) for fragment evolution to study EUV-induced photolysis in phenyl triflate, proposing a photodissociation mechanism based on non-adiabatic energy transfer.
- Yi Li
- Dongdong Kang
- Linwang Wang