| 1 |
Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study
Zhao YL, Lin YM, Wang GS, Jiang ZY, Zhang RQ, Zhu CY
Applied Surface Science, 463, 809, 2019 |
| 2 |
Two dimensional InSe/C2N van der Waals heterojunction as enhanced visible-light-responsible photocatalyst for water splitting
Wang B, Yuan HK, Chang JL, Chen XR, Chen H
Applied Surface Science, 485, 375, 2019 |
| 3 |
Acrolein oxidation to acrylic acid over the MoVOx material. Insights from DFT modeling
Fjermestad T, Li WQ, Rugg G, Ishida S, Okuno M, Sagi K, Genest A, Rosch N
Applied Catalysis A: General, 565, 68, 2018 |
| 4 |
New understanding of photocatalytic properties of zigzag and armchair g-C3N4 nanotubes from electronic structures and carrier effective mass
Liu JJ, Cheng B
Applied Surface Science, 430, 348, 2018 |
| 5 |
Hybrid DFT study of MWCNT/Zr-doped SrTiO3 heterostructure: Hydrogen production, electronic properties and charge Carrier mediator role of Zr4+ ion
Opoku F, Govender KK, van Sittert CGCE, Govender PP
International Journal of Hydrogen Energy, 43(49), 22253, 2018 |
| 6 |
Surface structures and thermodynamics of low-index of rutile, brookite and anatase - A comparative DFT study
Esch TR, Gadaczek I, Bredow T
Applied Surface Science, 288, 275, 2014 |
| 7 |
Role of gamma carboxylated Glu47 in connexin 26 hemichannel regulation by extracellular Ca2+: Insight from a local quantum chemistry study
Zonta F, Mammano F, Torsello M, Fortunati N, Orian L, Polimeno A
Biochemical and Biophysical Research Communications, 445(1), 10, 2014 |
| 8 |
Band structures and nitrogen doping effects in zinc titanate photocatalysts
Conesa JC
Catalysis Today, 208, 11, 2013 |
| 9 |
Hybrid functionals studies of structural and electronic properties of ZnxCd((1-x))S and (ZnxCd1-x)(SexS1-x) solid solution photocatalysts
Huang JD, Liu JY, Han KL
International Journal of Hydrogen Energy, 37(23), 17870, 2012 |
| 10 |
The effects of counter cation on lithium ion conductivity: In the case of the perovskite-type titanium oxides of La2/3-x Li3xTiO3 and LaTiO3
Onishi T
Solid State Ionics, 180(6-8), 592, 2009 |
