| Effect of Bromine Substitution on the Ion Migration and Optical Absorption in MAPbI3 Perovskite Solar Cells: The First-Principles Study C Lin, S Li, W Zhang, C Shao, Z Yang ACS Applied Energy Materials 1 (3), 1374-1380, 2018 | 62 | 2018 |
| Screening donor groups of organic dyes for dye-sensitized solar cells Z Yang, C Shao, D Cao RSC advances 5 (29), 22892-22898, 2015 | 48 | 2015 |
| First-principles screening and design of novel triphenylamine-based D− π–A organic dyes for highly efficient dye-sensitized solar cells Z Yang, C Liu, C Shao, C Lin, Y Liu The Journal of Physical Chemistry C 119 (38), 21852-21859, 2015 | 47 | 2015 |
| Rational design of dithienopicenocarbazole-based dyes and a prediction of their energy-conversion efficiency characteristics for dye-sensitized solar cells Z Yang, C Liu, K Li, JM Cole, C Shao, D Cao ACS Applied Energy Materials 1 (4), 1435-1444, 2018 | 46 | 2018 |
| TDDFT screening auxiliary withdrawing group and design the novel DA-π-A organic dyes based on indoline dye for highly efficient dye-sensitized solar cells Z Yang, Y Liu, C Liu, C Lin, C Shao Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 167, 127-133, 2016 | 41 | 2016 |
| Screening π-conjugated bridges of organic dyes for dye-sensitized solar cells with panchromatic visible light harvesting Z Yang, C Liu, C Shao, X Zeng, D Cao Nanotechnology 27 (26), 265701, 2016 | 24 | 2016 |
| Designing triphenylamine derivative dyes for highly effective dye-sensitized solar cells with near-infrared light harvesting up to 1100 nm Z Yang, D Wang, X Bai, C Shao, D Cao RSC Advances 4 (89), 48750-48757, 2014 | 22 | 2014 |
| Pore network modeling of water block in low permeability reservoirs C Shao, Z Yang, G Zhou, G Lu Petroleum Science 7, 362-366, 2010 | 22 | 2010 |
| Exploring electronic and optical properties of CH3NH3GeI3 perovskite: Insights from the first principles Y Jiao, Y Lv, J Li, M Niu, Z Yang Computational and Theoretical Chemistry 1114, 20-24, 2017 | 19 | 2017 |
| Machine learning accelerates the discovery of light-absorbing materials for double perovskite solar cells Z Yang, Y Liu, Y Zhang, L Wang, C Lin, Y Lv, Y Ma, C Shao The Journal of Physical Chemistry C 125 (41), 22483-22492, 2021 | 18 | 2021 |
| Indirect-to-direct band gap transition and optical properties of metal alloying of Cs2AgMxBr6 (M= Bi, In, Sb): Insights from the first principles Y Jiao, S Zhang, Z Yang, G Lu Computational and Theoretical Chemistry 1148, 55-59, 2019 | 18 | 2019 |
| Density functional theory design of double donor dyes and electron transfer on dye/TiO 2 (101) composite systems for dye-sensitized solar cells C Lin, Y Liu, D Shao, G Wang, H Xu, C Shao, W Zhang, Z Yang RSC advances 11 (5), 3071-3078, 2021 | 17 | 2021 |
| The bandgap regulation and optical properties of alloyed Cs2NaSbX6 (X= Cl, Br, I) systems with first principle method C Lin, Y Zhao, Y Liu, W Zhang, C Shao, Z Yang Journal of Materials Research and Technology 11, 1645-1653, 2021 | 13 | 2021 |
| Theoretical Study of Ultrafast Electron Injection into a Dye/TiO2 System in Dye-Sensitized Solar Cells C Lin, Q Xia, K Li, J Li, Z Yang Journal of the Korean Physical Society 72, 1307-1312, 2018 | 12 | 2018 |
| Design of butterfly type organic dye sensitizers with double electron donors: The first principle study Z Yang, D Shao, J Li, L Tang, C Shao Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 196, 385-391, 2018 | 12 | 2018 |
| Indirect-to-direct band gap transition and optical properties of Cs2BiAgX6 with mechanical strains: the density functional theory investigation X Zhang, Y Lv, Y Lv, Y Liu, Z Yang Journal of Materials Research and Technology 17, 425-432, 2022 | 10 | 2022 |
| Novel dyes design based on first principles and the prediction of energy conversion efficiencies of dye-sensitized solar cells C Lin, Y Liu, G Wang, K Li, H Xu, W Zhang, C Shao, Z Yang ACS omega 6 (1), 715-722, 2020 | 8 | 2020 |
| Predicting Device Parameters for Dye-Sensitized Solar Cells from Electronic Structure Calculations to Reproduce Experiment Z Yang, K Li, C Lin, LR Devereux, W Zhang, C Shao, JM Cole, D Cao ACS Applied Energy Materials 3 (5), 4367-4376, 2020 | 7 | 2020 |
| Electronic and optical properties of Tl4GeX3 (X= S, Se and Te) compounds for optoelectronics applications: insights from DFT-computations S Khalid, Y Ma, X Sun, G Zhou, H Wu, G Lu, Z Yang, J Khan, R Khenata, ... Journal of Materials Research and Technology 9 (1), 413-420, 2020 | 7 | 2020 |
| Effect of auxiliary group for p-type organic dyes in NiO-based dye-sensitized solar cells: The first principal study J Li, S Zhang, D Shao, Z Yang, W Zhang Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 193, 192-196, 2018 | 7 | 2018 |
Dapeng CaoBeijing University of Chemical Technology在 mail.buct.edu.cn 的电子邮件经过验证
Dapeng CaoBeijing University of Chemical Technology在 mail.buct.edu.cn 的电子邮件经过验证