Applications Of DFT Calculations In Dual-Atom Catalysts

Applications Of DFT Calculations In Dual-Atom Catalysts

Academic Exchange Website(www.xueyanhui.com) Register and member verification can receive up to 1100 yuan coupons Maximum discount for first order 200 yuan! Introduction: Dual-atom catalysts (DACs) have tunable electronic structures and spin states, which can enhance the performance of electrochemical reactions. By introducing a second metal, the electronic structure and spin state of the metal center … Read more

Systematic Summary of Spin Effects in Dual-Atom Electrocatalysts by the Team of Guan Jingqi at Jilin University

Systematic Summary of Spin Effects in Dual-Atom Electrocatalysts by the Team of Guan Jingqi at Jilin University

Overview Developing high-efficiency atomic-level catalysts for energy conversion and storage technologies is crucial for addressing energy shortages. The spin states of dual-atom catalysts (DAC) are closely related to their catalytic activity. Adjusting the spin state of the active center in DAC can directly alter the occupancy of the d orbitals, thereby affecting the bonding strength … Read more