TY - JOUR
T1 - Two-dimensional C3N/WS2 vdW heterojunction for direct Z-scheme photocatalytic overall water splitting
AU - Li, Haotian
AU - Xu, Liang
AU - Huang, Xin
AU - Ou-Yang, Jie
AU - Chen, Min
AU - Zhang, Ying
AU - Tang, Shuaihao
AU - Dong, Kejun
AU - Wang, Ling-Ling
PY - 2023/1/19
Y1 - 2023/1/19
N2 - The development and design of efficient photoelectric catalysts is of great significance for environmental friendliness. This paper is devoted to finding a new two-dimensional van der Waals heterojunction to realize hydrogen production from water splitting. Based on first-principles calculations, a direct type-Z C3N/WS2 heterojunction was successfully designed by combining highly active two-dimensional transition metal dichalcogenides (TMDs) with C3N similar in structure to graphene. The staggered band structure of the direct Z-scheme and high carrier mobility facilitates the efficient separation of photogenerated electron and hole pairs. More importantly, the C3N/WS2 direct Z-type heterojunction can perfectly realize total water splitting from pH = 0 to pH = 7. What's more, the Gibbs free energy and overpotential demonstrate the excellent hydrogen evolution capability and the oxygen evolution capacity of the material. In summary, these studies provide new ideas for designing high-performance photoelectric catalysts for visible-light water splitting.
AB - The development and design of efficient photoelectric catalysts is of great significance for environmental friendliness. This paper is devoted to finding a new two-dimensional van der Waals heterojunction to realize hydrogen production from water splitting. Based on first-principles calculations, a direct type-Z C3N/WS2 heterojunction was successfully designed by combining highly active two-dimensional transition metal dichalcogenides (TMDs) with C3N similar in structure to graphene. The staggered band structure of the direct Z-scheme and high carrier mobility facilitates the efficient separation of photogenerated electron and hole pairs. More importantly, the C3N/WS2 direct Z-type heterojunction can perfectly realize total water splitting from pH = 0 to pH = 7. What's more, the Gibbs free energy and overpotential demonstrate the excellent hydrogen evolution capability and the oxygen evolution capacity of the material. In summary, these studies provide new ideas for designing high-performance photoelectric catalysts for visible-light water splitting.
UR - https://hdl.handle.net/1959.7/uws:73749
U2 - 10.1016/j.ijhydene.2022.10.102
DO - 10.1016/j.ijhydene.2022.10.102
M3 - Article
SN - 0360-3199
VL - 48
SP - 2186
EP - 2199
JO - International Journal of Hydrogen Energy
JF - International Journal of Hydrogen Energy
IS - 6
ER -