First-principles-driven catalyst design protocol of 2D/2D heterostructures for electro- and photocatalytic nitrogen

Tinnakorn Saelee1,2, Maneerat Chotsawat3, Meena Rittiruam1,2

  • 1High-Performance Computing Unit (CECC-HCU), Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Chulalongkorn University, Bangkok, 10330, Thailand. supareak.p@chula.ac.th.