Orbital Occupancy and Spin Polarization: From Mechanistic Study to Rational Design of Transition Metal-Based Electrocatalysts toward Energy Applications

Over the past few decades, development of electrocatalysts for energy applications has extensively transitioned from trial-and-error methodologies to more rational and directed designs at the atomic levels via either nanogeometric optimization or modulating electronic properties of active sites. Regarding the modulation of electronic properties, nonprecious transition metal-based materials have been attracting large interest due to the capability of versatile tuning d-electron configurations expressed through the flexible orbital occupancy and various possible degrees of spin polarization. Herein, recent advances in tailoring electronic properties of the transition-metal atoms for intrinsically enhanced…

• MO
  Ministry of Education - Singapore

  Award: RG105/19