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2024
Deciphering the Microdroplet Acceleration Factors of Aza-Michael Addition Reactions
Song, Z., Zhu, C., Gong, K., Wang, R., Zhang, J., Zhao, S., Li, Z., Zhang, X. & Xie, J., 17 Apr 2024, In: Journal of the American Chemical Society. 146, 15, p. 10963-10972 10 p.Research output: Contribution to journal › Article › peer-review
12 Citations (Scopus) -
Multiple noncovalent conformational locks combined with π-bridge engineering as high-performance Y-series acceptors for organic photovoltaics
Yang, J., Li, Q. & Li, Z., May 2024, In: Science China Materials. 67, 5, p. 1612-1620 9 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (Scopus) -
Two Key Descriptors for Designing Second Near-Infrared Dyes and Experimental Validation
Zeng, Y., Qu, J., Wu, G., Zhao, Y., Hao, J., Dong, Y., Li, Z., Shi, J., Francisco, J. S. & Zheng, X., 10 Apr 2024, In: Journal of the American Chemical Society. 146, 14, p. 9888-9896 9 p.Research output: Contribution to journal › Article › peer-review
12 Citations (Scopus) -
2023
Efficient regulation of active layer morphology and interfacial charge-transfer process by porphyrin-based additive in organic solar cells
Yang, J., Li, Q. S. & Li, Z. S., 20 Feb 2023, In: Colloids and Surfaces A: Physicochemical and Engineering Aspects. 659, 130818.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Encapsulate lithium sulfide cathodes with carbon-doped MoS2 for fast kinetics in lithium-sulfur batteries, a theoretical study
Zhao, B., Ren, Z., Li, Z., Tan, G. & Xie, J., 1 Jan 2023, In: Acta Materialia. 242, 118441.Research output: Contribution to journal › Article › peer-review
12 Citations (Scopus) -
Incorporation of a Boron–Nitrogen Covalent Bond Improves the Charge-Transport and Charge-Transfer Characteristics of Organoboron Small-Molecule Acceptors for Organic Solar Cells
Yang, J., Ding, W. L., Li, Q. S. & Li, Z. S., Jan 2023, In: Molecules. 28, 2, 811.Research output: Contribution to journal › Article › peer-review
Open Access13 Citations (Scopus) -
In-Plane Porous Graphene: A Promising Anode Material with High Ion Mobility and Energy Storage for Rubidium-Ion Batteries
Lu, B., Ru, N., Duan, J., Li, Z. & Qu, J., 20 Jun 2023, In: ACS Omega. 8, 24, p. 21842-21852 11 p.Research output: Contribution to journal › Article › peer-review
Open Access4 Citations (Scopus) -
Structural design of a new XLPE Insulation material without cross-linking by-products and theoretical study on the reaction mechanism: An alternative to peroxide crosslinking
Han, W., Zhang, H., Du, X., Shang, Y., Du, Y., Yang, H., Wang, X., Chen, Q. & Li, Z., Aug 2023, In: Materials Today Communications. 36, 106483.Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus) -
Theoretical insights into the rational design of small organic phototheranostic agents for promoting image-guided cancer surgery
Zhang, J., Yang, J., Zeng, Y., Li, Z. S. & Zheng, X., 6 Jan 2023, In: Materials Chemistry Frontiers. 7, 3, p. 545-553 9 p.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus) -
Theoretical study on the reaction mechanism of a new XLPE insulation material without cross-linking byproducts: An alternative to peroxide cross-linking
Zhang, H., Han, W., Du, X., Shang, Y., Du, Y., Dong, S., Yang, H., Wang, X., Chen, Q. & Li, Z., 5 Sept 2023, In: International Journal of Quantum Chemistry. 123, 17, e27145.Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus) -
2022
Atomistic Mechanism of Surface-Defect Passivation: Toward Stable and Efficient Perovskite Solar Cells
Zhang, W., Li, Q. S. & Li, Z. S., 28 Jul 2022, In: Journal of Physical Chemistry Letters. 13, 29, p. 6686-6693 8 p.Research output: Contribution to journal › Article › peer-review
19 Citations (Scopus) -
A π-extended triphenylamine based dopant-free hole-transporting material for perovskite solar cells: Via heteroatom substitution
Hao, M., Tan, D., Chi, W. & Li, Z. S., Feb 2022, In: Physical Chemistry Chemical Physics. 24, 7, p. 4635-4643 9 p.Research output: Contribution to journal › Article › peer-review
11 Citations (Scopus) -
Boron-based non-fullerene small molecule acceptors via nitrogen substitution: a theoretical study
Yang, J., Wu, X., Li, Q. S. & Li, Z. S., 21 Feb 2022, In: Materials Advances. 3, 7, p. 3229-3237 9 p.Research output: Contribution to journal › Article › peer-review
Open Access4 Citations (Scopus) -
Defects on Li2S@graphene cathode improves the performance of lithium-sulfur battery, A theoretical study
Zhao, B., Ren, Z., Tan, G., Li, Z. & Xie, J., Mar 2022, In: Acta Materialia. 226, 117632.Research output: Contribution to journal › Article › peer-review
17 Citations (Scopus) -
Molecular Engineering in Perovskite Solar Cells: A Computational Study on 2-Mercaptopyridine Derivatives as Surface Passivators against Water
Zhang, W., Li, Q. S. & Li, Z. S., 22 Feb 2022, In: Advanced Materials Interfaces. 9, 6, 2101881.Research output: Contribution to journal › Article › peer-review
16 Citations (Scopus) -
Monolayer H-MoS2 with high ion mobility as a promising anode for rubidium (cesium)-ion batteries
Lu, B., Liu, X., Qu, J. & Li, Z., 21 Jul 2022, In: Nanoscale Advances. 4, 18, p. 3756-3763 8 p.Research output: Contribution to journal › Article › peer-review
Open Access4 Citations (Scopus) -
Theoretical insights into photo-induced isomerization mechanisms of phenylsulfinyl radical PhSO˙†
Liu, M. K., Li, J., Li, Q. S. & Li, Z. S., 15 Feb 2022, In: Physical Chemistry Chemical Physics. 24, 10, p. 6266-6273 8 p.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Theoretical Study of Non-Fullerene Acceptors Using End-Capped Groups with Different Electron-Withdrawing Abilities toward Efficient Organic Solar Cells
Yang, J., Ding, W. L., Li, Q. S. & Li, Z. S., 27 Jan 2022, In: Journal of Physical Chemistry Letters. 13, 3, p. 916-922 7 p.Research output: Contribution to journal › Article › peer-review
28 Citations (Scopus) -
Theoretical study on the cross-linking reaction mechanism of cellulose nanofibrils initiated by fluorine
Zhang, H., Du, X., Deng, C., Shang, Y., Yang, H., Chen, Q. & Li, Z., Nov 2022, In: Journal of Molecular Graphics and Modelling. 116, 108266.Research output: Contribution to journal › Article › peer-review
6 Citations (Scopus) -
2021
Achieving Highly Efficient Carbon Dioxide Electrolysis by in Situ Construction of the Heterostructure
Yang, X., Sun, W., Ma, M., Xu, C., Ren, R., Qiao, J., Wang, Z., Li, Z., Zhen, S. & Sun, K., 5 May 2021, In: ACS Applied Materials and Interfaces. 13, 17, p. 20060-20069 10 p.Research output: Contribution to journal › Article › peer-review
55 Citations (Scopus) -
Binding properties of cucurbit[7]uril to neutral and protonated amino acids: A theoretical study
Ma, F., Zheng, X., Xie, J. & Li, Z., 5 Mar 2021, In: International Journal of Quantum Chemistry. 121, 5, e26491.Research output: Contribution to journal › Article › peer-review
6 Citations (Scopus) -
Boron-nitrogen substituted planar cores: Designing dopant-free hole-Transporting materials for efficient perovskite solar cells
Hao, M., Chi, W. & Li, Z., 21 Feb 2021, In: Nanoscale. 13, 7, p. 4241-4248 8 p.Research output: Contribution to journal › Article › peer-review
20 Citations (Scopus) -
Doping effects on catechol functionalized anatase TiO2(101) surface for dye-sensitized solar cells
Luo, J. H., Mo, Y. F., Li, Z. S. & Du, F. Y., Jan 2021, In: Materials Research Express. 8, 1, 015906.Research output: Contribution to journal › Article › peer-review
Open Access3 Citations (Scopus) -
Host-guest interaction-induced emission enhancement of amphiphilic AIEgens: A computational study
Yang, J., Peng, Q., Xue, R., Li, Z. & Zheng, X., 21 Feb 2021, In: Materials Chemistry Frontiers. 5, 4, p. 1806-1816 11 p.Research output: Contribution to journal › Article › peer-review
20 Citations (Scopus) -
Sequence-dependent nanomolar binding of tripeptides containing N-terminal phenylalanine by Cucurbit[7]uril: A theoretical study
Ma, F., Zheng, X., Xie, L. & Li, Z., 15 Apr 2021, In: Journal of Molecular Liquids. 328, 115479.Research output: Contribution to journal › Article › peer-review
9 Citations (Scopus) -
Sequence-selective recognition of cationic amphipathic tripeptides with similar structures in aqueous solutions by cucurbit[7]uril
Ma, F., Zheng, X. & Li, Z., 22 Jun 2021, In: Physical Chemistry Chemical Physics. 23, 24, p. 13724-13733 10 p.Research output: Contribution to journal › Article › peer-review
6 Citations (Scopus) -
Theoretical design of asymmetric A-D1A′D2-A type non-fullerene acceptors for organic solar cells
Yang, J., Li, Q. S. & Li, Z. S., 7 Jun 2021, In: Physical Chemistry Chemical Physics. 23, 21, p. 12321-12328 8 p.Research output: Contribution to journal › Article › peer-review
24 Citations (Scopus) -
Theoretical study on the grafting reaction of maleimide containing 2-hydroxy-benzophenone onto polyethylene
Zhang, H., Deng, C., Du, X., Shang, Y., Zhao, H., Wang, X., Han, B. & Li, Z., Sept 2021, In: Journal of Molecular Modeling. 27, 9, 259.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (Scopus) -
Theoretical study on thienothiophene core hole-transporting materials in perovskite solar cells: S atom position effect
Gao, Z., Hao, M. & Li, Z., Feb 2021, In: Chemical Physics Letters. 764, 138264.Research output: Contribution to journal › Article › peer-review
22 Citations (Scopus) -
Understanding the surface passivation effects of Lewis base in perovskite solar cells
Zhang, W., Li, Q. S. & Li, Z. S., 15 Oct 2021, In: Applied Surface Science. 563, 150267.Research output: Contribution to journal › Article › peer-review
31 Citations (Scopus) -
2020
A molecular-scale study on the role of methanesulfinic acid in marine new particle formation
Ning, A., Zhang, H., Zhang, X., Li, Z., Zhang, Y., Xu, Y. & Ge, M., 15 Apr 2020, In: Atmospheric Environment. 227, 117378.Research output: Contribution to journal › Article › peer-review
22 Citations (Scopus) -
A promising photocatalyst for water-splitting reactions with a stable sandwiched P4O2/black phosphorus heterostructure and high solar-to-hydrogen efficiency
Lu, B., Zheng, X. & Li, Z., 28 Mar 2020, In: Nanoscale. 12, 12, p. 6617-6623 7 p.Research output: Contribution to journal › Article › peer-review
22 Citations (Scopus) -
Consolidating Lithiothermic-Ready Transition Metals for Li2S-Based Cathodes
Xing, Z., Tan, G., Yuan, Y., Wang, B., Ma, L., Xie, J., Li, Z., Wu, T., Ren, Y., Shahbazian-Yassar, R., Lu, J., Ji, X. & Chen, Z., 1 Aug 2020, In: Advanced Materials. 32, 31, 2002403.Research output: Contribution to journal › Article › peer-review
Open Access74 Citations (Scopus) -
Designing Hole Transport Materials with High Hole Mobility and Outstanding Interface Properties for Perovskite Solar Cells
Jiang, R., Zhu, R. & Li, Z. S., 18 Aug 2020, In: ChemPhysChem. 21, 16, p. 1866-1872 7 p.Research output: Contribution to journal › Article › peer-review
4 Citations (Scopus) -
End-capped group manipulation of indacenodithienothiophene-based non-fullerene small molecule acceptors for efficient organic solar cells
Yang, J., Li, Q. S. & Li, Z. S., 14 Sept 2020, In: Nanoscale. 12, 34, p. 17795-17804 10 p.Research output: Contribution to journal › Article › peer-review
23 Citations (Scopus) -
Molecular Engineering of Hexaazatriphenylene Derivatives toward More Efficient Electron-Transporting Materials for Inverted Perovskite Solar Cells
Zhu, R., Li, Q. S. & Li, Z. S., 26 Aug 2020, In: ACS applied materials & interfaces. 12, 34, p. 38222-38231 10 p.Research output: Contribution to journal › Article › peer-review
20 Citations (Scopus) -
Molecular Origins of Photoinduced Backward Intramolecular Charge Transfer
Hao, M., Chi, W., Wang, C., Xu, Z., Li, Z. & Liu, X., 6 Aug 2020, In: Journal of Physical Chemistry C. 124, 31, p. 16820-16826 7 p.Research output: Contribution to journal › Article › peer-review
25 Citations (Scopus) -
Nucleation mechanisms of iodic acid in clean and polluted coastal regions
Rong, H., Liu, J., Zhang, Y., Du, L., Zhang, X. & Li, Z., Aug 2020, In: Chemosphere. 253, 126743.Research output: Contribution to journal › Article › peer-review
29 Citations (Scopus) -
Positional Effect of the Triphenylamine Group on the Optical and Charge-Transfer Properties of Thiophene-Based Hole-Transporting Materials
Hao, M., Chi, W. & Li, Z., 17 Jan 2020, In: Chemistry - An Asian Journal. 15, 2, p. 287-293 7 p.Research output: Contribution to journal › Article › peer-review
17 Citations (Scopus) -
Theoretical study on the hydrogen addition reactions to bismaleimide in the ultra-violet radiation cross-linking process of polyethylene
Zhang, H., Deng, C., Shang, Y., Zhao, H., Wang, X., Han, B. & Li, Z., Nov 2020, In: Journal of Molecular Graphics and Modelling. 100, 107679.Research output: Contribution to journal › Article › peer-review
11 Citations (Scopus) -
Theoretical study on the photochemistry of furoylazides: Curtius rearrangement and subsequent reactions
Li, J., Liu, M. K., Li, Q. S. & Li, Z. S., 28 Dec 2020, In: Physical Chemistry Chemical Physics. 22, 48, p. 28317-28324 8 p.Research output: Contribution to journal › Article › peer-review
9 Citations (Scopus) -
Two-Dimensional Lateral Heterostructures of Triphosphides: AlP3-GaP3as a Promising Photocatalyst for Water Splitting
Lu, B., Zheng, X. & Li, Z., 2 Dec 2020, In: ACS applied materials & interfaces. 12, 48, p. 53731-53738 8 p.Research output: Contribution to journal › Article › peer-review
31 Citations (Scopus) -
Understanding the effects of the co-sensitizing ratio on the surface potential, electron injection efficiency, and Förster resonance energy transfer
Yang, J., Peng, X. L., Sun, Z. Z., Feng, S., Ding, W. L., He, H. Y. & Li, Z. S., 14 Mar 2020, In: Physical Chemistry Chemical Physics. 22, 10, p. 5568-5576 9 p.Research output: Contribution to journal › Article › peer-review
5 Citations (Scopus) -
2019
A peri-Xanthenoxanthene Centered Columnar-Stacking Organic Semiconductor for Efficient, Photothermally Stable Perovskite Solar Cells
Xu, N., Li, Y., Wu, R., Zhu, R., Zhang, J., Zakeeruddin, S. M., Li, H., Li, Z. S., Grätzel, M. & Wang, P., 18 Jan 2019, In: Chemistry - A European Journal. 25, 4, p. 945-948 4 p.Research output: Contribution to journal › Article › peer-review
21 Citations (Scopus) -
Effect of SiC nano-size fillers on the aging resistance of XLPE insulation: A first-principles study
Zhang, H., Liu, Y., Du, X., Wang, X., Zheng, X. & Li, Z., Dec 2019, In: Journal of Molecular Graphics and Modelling. 93, 107438.Research output: Contribution to journal › Article › peer-review
8 Citations (Scopus) -
End-capped group manipulation of fluorene-based small molecule acceptors for efficient organic solar cells
Wang, Y. L., Li, Q. S. & Li, Z. S., Jan 2019, In: Computational Materials Science. 156, p. 252-259 8 p.Research output: Contribution to journal › Article › peer-review
31 Citations (Scopus) -
Few-Layer P 4 O 2: A Promising Photocatalyst for Water Splitting
Lu, B., Zheng, X. & Li, Z., 13 Mar 2019, In: ACS applied materials & interfaces. 11, 10, p. 10163-10170 8 p.Research output: Contribution to journal › Article › peer-review
31 Citations (Scopus) -
Fluorination of benzene with disubstituted N-fluoropyridinium salts in acetonitrile solution: a DFT study
Du, X., Zhang, H., Yao, Y., Lu, Y., Wang, A., Wang, Y. & Li, Z., 1 Feb 2019, In: Theoretical Chemistry Accounts. 138, 2, 28.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Further discussion on the reaction behaviour of triallyl isocyanurate in the UV radiation cross-linking process of polyethylene: A theoretical study
Zhang, H., Shang, Y., Zhao, H., Wang, X., Han, B. & Li, Z., 2019, In: Royal Society Open Science. 6, 9, 182196.Research output: Contribution to journal › Article › peer-review
Open Access4 Citations (Scopus) -
Influence of Sn/Ge Cation Exchange on Vacancy-Ordered Double Perovskite Cs2Sn(1−x)GexI6: A First-Principles Theoretical Study
Ma, X. X. & Li, Z. S., Mar 2019, In: Physica Status Solidi (B): Basic Research. 256, 3, 1800427.Research output: Contribution to journal › Article › peer-review
26 Citations (Scopus)
