방사선의학 웹진

바로가기  >

Abstract

Through phase transition-induced band edge engineering by dual doping with In and Mo, a new greenish BiVO4 (Bi1-XInXV1-XMoXO4) is developed that has a larger band gap energy than the usual yellow scheelite monoclinic BiVO4 as well as a higher (more negative) conduction band than H(+)/H2 potential [0 VRHE (reversible hydrogen electrode) at pH 7]. Hence, it can extract H2 from pure water by visible light-driven overall water splitting without using any sacrificial reagents. The density functional theory calculation indicates that In(3+)/Mo(6+) dual doping triggers partial phase transformation from pure monoclinic BiVO4 to a mixture of monoclinic BiVO4 and tetragonal BiVO4, which sequentially leads to unit cell volume growth, compressive lattice strain increase, conduction band edge uplift, and band gap widening.

​
Author information

Jo WJ, Kang HJ, Kong KJ, Lee YS, Park H, Lee Y, Buonassisi T, Gleason KK, Lee JS.​

1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139;
2Department of Chemical Engineering, Pohang University of Science and Technology, Pohang 790-784, Korea;
3Korea Institute of Chemical Technology, Daejeon 305-343, Korea;
4Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139;
5School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology, Ulsan 689-798, Korea jlee1234@unist.ac.kr.