| Uniform and ultrathin high-κ gate dielectrics for two-dimensional electronic devices W Li, J Zhou, S Cai, Z Yu, J Zhang, N Fang, T Li, Y Wu, T Chen, X Xie, ... Nature Electronics 2 (12), 563-571, 2019 | 342 | 2019 |
| Time-dependent density matrix renormalization group quantum dynamics for realistic chemical systems X Xie, Y Liu, Y Yao, U Schollwöck, C Liu, H Ma The Journal of Chemical Physics 151 (22), 2019 | 76 | 2019 |
| Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states Z Wang, H Liu, X Xie, C Zhang, R Wang, L Chen, Y Xu, H Ma, W Fang, ... Nature Chemistry 13 (6), 559-567, 2021 | 72 | 2021 |
| Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors TF Harrelson, V Dantanarayana, X Xie, C Koshnick, D Nai, R Fair, ... Materials Horizons 6 (1), 182-191, 2019 | 72 | 2019 |
| Ultrafast hole transfer mediated by polaron pairs in all-polymer photovoltaic blends R Wang, Y Yao, C Zhang, Y Zhang, H Bin, L Xue, ZG Zhang, X Xie, H Ma, ... Nature communications 10 (1), 398, 2019 | 70 | 2019 |
| Boosting luminance energy transfer efficiency in upconversion nanoparticles with an energy‐concentrating Zone X Zhang, W Chen, X Xie, Y Li, D Chen, Z Chao, C Liu, H Ma, Y Liu, H Ju Angewandte Chemie 131 (35), 12245-12250, 2019 | 69 | 2019 |
| Ultrafast long-range charge separation in organic photovoltaics: promotion by off-diagonal vibronic couplings and entropy increase Y Yao, X Xie, H Ma The Journal of Physical Chemistry Letters 7 (23), 4830-4835, 2016 | 62 | 2016 |
| Practical computation of the charge mobility in molecular semiconductors using transient localization theory T Nematiaram, S Ciuchi, X Xie, S Fratini, A Troisi The Journal of Physical Chemistry C 123 (12), 6989-6997, 2019 | 59 | 2019 |
| Nonlocal electron–phonon coupling in prototypical molecular semiconductors from first principles X Xie, A Santana-Bonilla, A Troisi Journal of chemical theory and computation 14 (7), 3752-3762, 2018 | 48 | 2018 |
| Exciton–phonon interaction model for singlet fission in prototypical molecular crystals X Xie, A Santana-Bonilla, W Fang, C Liu, A Troisi, H Ma Journal of Chemical Theory and Computation 15 (6), 3721-3729, 2019 | 42 | 2019 |
| First principles based computational scheme for designing new SF6 replacements C Zhang, H Shi, L Cheng, K Zhao, X Xie, H Ma IEEE Transactions on Dielectrics and Electrical Insulation 23 (5), 2572-2578, 2016 | 39 | 2016 |
| Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening OH Omar, X Xie, A Troisi, D Padula Journal of the American Chemical Society 145 (36), 19790-19799, 2023 | 28 | 2023 |
| Stochastic adaptive single-site time-dependent variational principle Y Xu, Z Xie, X Xie, U Schollwöck, H Ma JACS Au 2 (2), 335-340, 2022 | 24 | 2022 |
| Opposite anisotropy effects of singlet and triplet exciton diffusion in tetracene crystal X Xie, H Ma ChemistryOpen 5 (3), 201-205, 2016 | 15 | 2016 |
| Long persistent luminescence enabled by dissociation of triplet intermediate states in an organic guest/host system L Xiao, Z Wang, C Zhang, X Xie, H Ma, Q Peng, Z An, X Wang, Z Shuai, ... The Journal of Physical Chemistry Letters 11 (9), 3582-3588, 2020 | 13 | 2020 |
| Rapid calculation of internal conversion and intersystem crossing rate for organic materials discovery L Shi, X Xie, A Troisi The Journal of Chemical Physics 157 (13), 2022 | 8 | 2022 |
| Evaluating the electronic structure of coexisting excitonic and multiexcitonic states in periodic systems: significance for singlet fission X Xie, A Troisi Journal of Chemical Theory and Computation 18 (1), 394-405, 2021 | 6 | 2021 |
| Identification via virtual screening of emissive molecules with a small exciton–vibration coupling for high color purity and potential large exciton delocalization X Xie, A Troisi The Journal of Physical Chemistry Letters 14 (17), 4119-4126, 2023 | 4 | 2023 |
| Optimizing through-space interaction for singlet fission by using macrocyclic structures Z Wang, X Yang, H Ma, X Xie Journal of Materials Chemistry C 11 (21), 6856-6866, 2023 | 3 | 2023 |
| Theoretical investigation of distal charge separation in a perylenediimide trimer K Wang, Y Xu, X Xie, H Ma The Journal of Chemical Physics 160 (16), 2024 | 2 | 2024 |