Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemi...Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).展开更多
文摘Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).
