| What Makes Fullerene Acceptors Special as Electron Acceptors in Organic Solar Cells and How to Replace Them T Liu, A Troisi Advanced Materials 25, 1038-1041, 2013 | 371 | 2013 |
| Absolute Rate of Charge Separation and Recombination in a Molecular Model of the P3HT/PCBM Interface T Liu, A Troisi Journal of Physical Chemistry C 115, 2406-2415, 2011 | 302 | 2011 |
| Structural variability and dynamics of the P3HT/PCBM interface and its effects on the electronic structure and the charge-transfer rates in solar cells T Liu, DL Cheung, A Troisi Physical Chemistry Chemical Physics 13, 21461-21470, 2011 | 124 | 2011 |
| Theoretical studies on structures and spectroscopic properties of a series of novel cationic trans-(C boolean AND N)(2)Ir(PH3)(2) (+) (C boolean AND N = ppy, bzq, ppz, dfppy) T Liu, HX Zhang, BH Xia Journal of Physical Chemistry C 111, 8724-8730, 2007 | 88* | 2007 |
| Understanding the Microscopic Origin of the Very High Charge Mobility in PBTTT: Tolerance of Thermal Disorder T Liu, A Troisi Advanced Functional Materials 24, 925-933, 2014 | 84 | 2014 |
| Theoretical studies on structures and spectroscopic properties of bis-cyclometalated iridium complexes T : Liu, BH Xia, X Zhou Organometallics 26, 143-149, 2007 | 84 | 2007 |
| Combining machine learning and high-throughput experimentation to discover photocatalytically active organic molecules X Li, PM Maffettone, Y Che, T Liu, L Chen, AI Cooper Chemical Science 12 (32), 10742-10754, 2021 | 72 | 2021 |
| Photoinduced inverse vulcanization J Jia, J Liu, ZQ Wang, T Liu, P Yan, XQ Gong, C Zhao, L Chen, C Miao, ... Nature Chemistry 14 (11), 1249-1257, 2022 | 65 | 2022 |
| Packing-induced selectivity switching in molecular nanoparticle photocatalysts for hydrogen and hydrogen peroxide production H Yang, C Li, T Liu, T Fellowes, SY Chong, L Catalano, M Bahri, W Zhang, ... Nature Nanotechnology 18 (3), 307-315, 2023 | 60 | 2023 |
| Theoretical Studies on Structures and Spectroscopic Properties of Photoelectrochemical Cell Ruthenium Sensitizers,[Ru (H m tcterpy)(NCS) 3] n−(m= 0, 1, 2, and 3; n= 4, 3, 2, and 1) MX Li, X Zhou, BH Xia, HX Zhang, QJ Pan, T Liu, HG Fu, CC Sun Inorganic chemistry 47 (7), 2312-2324, 2008 | 58 | 2008 |
| Crystallization of covalent triazine frameworks via a heterogeneous nucleation approach for efficient photocatalytic applications L Guo, X Wang, Z Zhan, Y Zhao, L Chen, T Liu, B Tan, S Jin Chemistry of Materials 33 (6), 1994-2003, 2021 | 53 | 2021 |
| Theoretical studies on the electronic structures and optical properties of the oligomers involving bipyridyl, thiophenyl and ethynyl groups T Liu, JS Gao, BH Xia, X Zhou, HX Zhang Polymer 48 (2), 502-511, 2007 | 52 | 2007 |
| High-pressure, temperature elasticity of Fe-and Al-bearing MgSiO3: Implications for the Earth's lower mantle S Zhang, S Cottaar, T Liu, S Stackhouse, B Militzer Earth and Planetary Science Letters 434, 264-273, 2016 | 45 | 2016 |
| DFT/TD‐DFT investigation on Ir(III) complexes with N‐heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties T Liu, BH Xia, QC Zheng, X Zhou, QJ Pan, HX Zhang Journal of computational chemistry 31 (3), 628-638, 2010 | 45 | 2010 |
| Electronic structures and optical properties of neutral substituted fluorene-based cyclometalated platinum (II)–acetylide complexes: A DFT exploration FQ Bai, X Zhou, BH Xia, T Liu, JP Zhang, HX Zhang Journal of Organometallic Chemistry 694 (12), 1848-1860, 2009 | 36 | 2009 |
| Theoretical studies of the spectroscopic properties of blue emitting iridium complexes T Liu, BH Xia, X Zhou, QC Zheng, QJ Pan, HX Zhang Theoretical Chemistry Accounts 121, 155-164, 2008 | 30 | 2008 |
| Mechanism of Ir(ppy)2(N^N)+ (N^N = 2-Phenyl-1H-imidazo[4,5-f][1,10]phenanthroline) Sensor for F−, CF3COOH, and CH3COO−: Density Functional … T Liu, HX Zhang, X Zhou, QC Zheng, BH Xia, QJ Pan The Journal of Physical Chemistry A 112 (36), 8254-8262, 2008 | 26 | 2008 |
| Hydrogen isotope separation using a metal–organic cage built from macrocycles D He, L Zhang, T Liu, R Clowes, MA Little, M Liu, M Hirscher, AI Cooper Angewandte Chemie International Edition 61 (32), e202202450, 2022 | 22 | 2022 |
| Theoretical evidence of multiple dye regeneration mechanisms in dye-sensitized solar cells T Liu, A Troisi Chemical Physics Letters 570, 159-162, 2013 | 22 | 2013 |
| Theoretical studies on structures and spectroscopic properties of cyclometalated gold (III) complexes BZ Yang, X Zhou, T Liu, FQ Bai, HX Zhang The Journal of Physical Chemistry A 113 (33), 9396-9403, 2009 | 22 | 2009 |