Lithium ion batteries(LIBs)have wide application in the communication and transportation with high energy density,flexible and lightweight design,and long lifespan[1].
Inexpensive,metal-free materials of high performance in energy application as diverse as solutions,fuel-cell operation,supercapacitors,and catalyst,is highly desirable to replace currently widely used
On the basis of first-principles computations,we propose a simple and effective strategy through surface-adsorbing 3d-transition metal atoms (e.g.Ti,Cr,Mn and Fe) to modulate the electronic and magnet