2025年
(1) Cheng X., Liu B., Chen J. H. and Sun W. M.* Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study. Chemphyschem 2025, e202401124.
(2) Liu B., Wang W.-L., Su Y.-N., Ye Y.-L. and Sun W.-M.* On the potential of Zn@B38 superatom as a drug delivery vehicle for several anticancer drugs: A DFT study. Computational and Theoretical Chemistry 2025, 1244, 115022.
(3) Liu B., Zhang J.-C., Ye Y.-L., Chen J.-H. and Sun W.-M.* On the potential of the WSi12 superatom as a drug carrier: a DFT study. Physical Chemistry Chemical Physics 2025, 27, 5710-5719.
(4) Yuan R., Zhong X., Sun W.-M., Wang J., Huang C.*, Lin Z.* and Zheng J.* Electrochemistry sensing of ascorbic acid based on conductive metal-organic framework (Cu3(benzenehexathiol)) nanosheets modified electrode. Analytica Chimica Acta 2025, 1353, 343980.
(5) Zeng L., Shi W., Chen K., Wang K., Dai Y., Cheng X., Lu S., Gao D., Sun W.-M., Zhang X.*, Zhang J.* and Chen J.* Indocyanine Green Aggregation-Induced Hypotonic Stress to Remodel Aloe Exosome-like Vesicles for Enhanced Tumor Penetration and Phototherapy. ACS Nano 2025, 19, 15425-15443.
(6) Weng Z., Xie Z., Wu X., Qiu B., Chen J.*, Sun W.-M.* and Lin Z.* Water-Stable MIL-MOFs Developed Through a Novel Sacrifice-Protection Strategy Inspired by Butterfly Wings’ Scales for Long-Term Turn-On Fluorescence Sensing of H2S. Small Methods, 2025, 2500277.
(7) Xu L., Chen G., Wu J., Chen M., Wang W., Chen Z., Lin L., Sun W.-M., Yao X., Zhang J.,* Chen J.* and Zhang X.* A base-stacking-driven ratiometric electrochemical biosensor using dsDNA-mediated MB-and-cholesterol
co-immobilization: A model of hydrophobic versatile platform for biosensing. Biosensors and Bioelectronics 2025, 284, 117540.
(8) Chen G., Xu L., Chen Z., Lin L., Wang W., Chen M., Sun W.-M., Huang X., Zhang X.* and Chen J.* A DNA Fishhook Electrochemical Sensor Based on a Potassium Ferricyanide-Mediated Dual-Signal-Correlation
Enhanced Electrocatalysis Reaction for a Simultaneous and Correlation Assay of Multiple Biomarkers. ACS Sensors 2025, 10, 3909-3920.
(9) Cheng X., Sun W.-M.,* Lin Q.-J., Yu D.* and Zheng J.* Mono-substituent effect of Al13, BO2, and BF4 superhalogens on the structure, electronic properties, and chemical reactivity of cisplatin: A DFT study.
Computational and Theoretical Chemistry 2025, 1253, 115417.
(10) Cheng X., Ye Y.-L., Wu J.* and Sun W.-M.* Substituting Superhalogens for the Fluorine Atom of 5-Fluorouracil: A New Approach to Modulate its Structure, Electronic Properties, and
Chemical Reactivity. ChemPhysChem 2025, n/a, 2500497.
(11) Huang K.-Y., Chen Y.-Y., Wang W.-L., Sun W.-M., Lin Z., Yao Q., Chen W.,* Xie J.* and Deng H.-H.* The Hidden Mechanism: Excited-State Proton-Electron Pair Transfer in Metal Nanocluster
Emission. Angewandte Chemie International Edition 2025, 64, e202418560.
(12) Lin S.#, Zhang Z.-C.#, Sun W.-M.* and Luo Z.* A Superatom Pt21– Cluster with Unique Stability and Aromaticity. Nano Letters 2025, 25, 11507-11512.
(13) Liu B.#, Chen Y.#, He J.-L., Wu J.*, Chen J.-H.* and Sun W.-M.* Computational screening of metal-doped borospherene B40 for 5-fluorouracil drug delivery. Computational and Theoretical Chemistry
2025, 1253, 115443.
(14) Wang W. L., Zhang Z. C., Huang S. Y., Zhong H. Y., Ni B. L. and Sun W. M.* Transformation of Distinct Superatoms to Superalkalis by Successive Ligation of Thymine Nucleobases.
The journal of physical chemistry. A 2025, 129, 1673-1681.
(15) Wang W.-L., Zhang Z.-C., Wang W.-H., Ni B.-L. and Sun W. M.* Tetrahedral Mg3M Clusters: A New Class of Superatom Catalysts for the Suzuki–Miyaura Reaction. The Journal of Physical Chemistry A
2025, 129, 6581-6592.
(16) Xie C.*, Hou Q., Qian H., Hu J., Li W., Sun W. M.* Ju M.* and Han B.* Nitrate-induced aerobic oxidative cleavage and esterification of carbon-carbon triple bonds. Science China Chemistry
2025, 68. DOI:10.1007/s11426-025-2711-3.
(17) Zhang Z.-C., Ling Z.-X., Huang S.-Y. and Sun W. M.* A theoretical study on doping Pd-like superatoms into defective graphene quantum dots: an efficient strategy to design single superatom
catalysts for the Suzuki reaction. Nanoscale 2025.DOI;10.1039/D5NR02730F.
(18) Zhang Z.-C., Wang W.-H., Wu T. and Sun W. M.* Embedding Pd-like ZrO and NbN superatoms into fullerenes: An intriguing strategy to achieve chainmail catalysts. Inorganic Chemistry
Communications 2025, 182, 115413.
2024年
(1) Sun, W.-M. Superhalogens and Superalkalis: Bonding, Reactivity, Dynamics and Applications; edited by P. K. Chattaraj， A. K. Srivastava, CRC Press: Boca Raton, 2024; Vol. Chapter 6: Design and Potential Applications of Superalkalis.(Book)
(2) Deng, H.-H.; Huang, K.-Y.; Zhong, Y.; Li, Y.; Huang, H.-X.; Fang, X.-Y.; Sun, W.-M.* ; Yao, Q.; Chen, W.* ; Xie, J.* Enzyme-activatable charge transfer in gold nanoclusters. Chemical Science, 2024, 15, 8922.
(3) Huang, C.; Sun, W.-M.; Jin, Y.; Guo, Q.; Mucke, D.; Chu, X.; Liao, Z.; Chandrasekhar, N.; Huang, X.; Lu, Y.; Chen, G.; Wang, M.; Liu, J.; Zhang, G.; Yu, M.; Qi, H.; Kaiser, U.; Xu, G.; Feng, X.; Dong, R. A General Synthesis of Nanostructured Conductive Metal-Organic Frameworks from Insulating MOF Precursors for Supercapacitors and Chemiresistive Sensors. Angew Chem Int Ed, 2024, 63, e202313591.
(4) Li, Y.-Q.; Cheng, X.; Jiang, S.; Song, W.-X.; Chen, J.-H.; Sun, W.-M.* Cyclometalatedgold(III)-hydride under oriented external electric fields: a new strategy to modulate its reactivity? Chemistry – A European Journal, 2024, 30, e202303568.
(5) Huang, K.-Y.; Yang, Z.-Q.; Yang, M.-R.; Chen, T.-S.; Tang, S.; Sun, W.-M.; Yao, Q.; Deng, H.-H.; Chen, W.; Xie, J. Unraveling a Concerted Proton-Coupled Electron Transfer Pathway in Atomically Precise Gold Nanoclusters. Journal of the American Chemical Society, 2024, 146, 12, 8706–8715.
(6) Xu, Y.; Yang, L.; Wang, C.; Sun, W.-M.; Zheng, Y.; Ou, B.; Wu, L.; Shi, L.; Lin, X.; Chen, W. Ferroptosis boosted oral cancer photodynamic therapy by carrier-free Sorafenib-Ce6 self-assembly nanoparticles. Journal of controlled release : official journal of the Controlled Release
Society 2024, 366, 798-811.
(7) Lu J.-X., Pang C.-X., Wang W.-L., Shi L.-F., Zhang J.-C., Jiang Z.-Q.*, Chen J.-H. and Sun W.-M. * Computational screening of metal-substituted HKUST-1 materials for the delivery of 5-fluorouracil. Computational and Theoretical Chemistry 2024, 1239, 114791.
(8) Wang W.-L., Zhang Z.-C., Yu D., Ni B.-L. and Sun W.-M.* Suzuki–Miyaura Cross-Coupling Reaction Catalyzed by Al12M (M = Be, Al, C, and P) Superatoms with Different Numbers of Valence Electrons. Inorganic chemistry 2024, 63, 11768-11778.
(9) Zhang Z. C., Wang W. L., Zhong H. Y., Liu B., Shi X. Y., Yu D. and Sun W. M.* The catalytic performance of (ZrO)(n) (n = 1-4, 12) clusters for Suzuki-Miyaura cross-coupling: a DFT study. Dalton transactions 2024, 53, 18258-18267
(10) Chen Q., Chen S., Chen Z., Tang K., Zeng L., Sun W. M., Wu F., Chen J.* and Lan J.* Nucleic acid-functionalized upconversion luminescence biosensor based on strand displacement-mediated signal amplification for the detection of trivalent chromium ions. Analytica Chimica Acta 2024, 1328, 343161.
(11) Chen W., Liu J., Sun W. M., Yu S., Li Y.* and Li Z.* Structures and electronic properties of exohedral metalloborospherenes Al12Li20&B60 and Al20Li12&B60 and their endohedral systems: push electron oxidation of super-reduced polyanionic states B6050− and B6060−. New Journal of Chemistry 2024, 48, 13937-13949.
(12) Lan J., Chen S., Chen Z., Luo D., Yu C., Zeng L., Sun W. M., Zhang X., Yao X., Wu F. and Chen J.* Chemo-photodynamic antitumour therapy based on Er-doped upconversion nanoparticles coated with hypocrellin B and MnO2. Biomaterials Advances 2024, 161, 213891.
2023年
（1）Cui Y.-F., Zhang L., Wang W.-L., Yang J.-F.*, Chen J.-H. and Sun, W.-M.* Designing Zr12O12 nanocage for the delivery of anticancer drugs: a theoretical study. Journal of Physics D: Applied Physics 2023, 56, 445401.（2）Zhang, L.; Zhang, J.-C.; Shi, L.-F.; Cheng, X.; Chen, J.-H.; Sun, W.-M.* On the possibility of using the Ti@Si16 superatom as a novel
drug delivery carrier for different drugs: A DFT study. Journal of Molecular Graphics and Modelling 2023, 118, 108378.
（3）Ye, Y.-L.; Pan, K.-Y.; Wang, W.-L.; Ni, B.-L.; Sun, W.-M.* On the Catalytic Performance of (ZrO) n (n = 1–4) Clusters for CO Oxidation: A DFT Study. ChemPhysChem 2023, 24, e202200776.
（4）Liu, Y.; Sun, W.-M.; Feng, K.; Wu, Y.; Yu, B.; Liu, S.; Zhou, F. Sebaceous gland-inspired self-lubricated de-icing coating by continuously secreting lubricants. Progress in Organic Coatings 2023, 174, 107311.
（5）Hou, H.; Wang, C.; Cheng, X.; Chen, H.; Sun, W.-M.; Zheng, Z.; Ke, F. Visible light-induced direct and highly selective C–H functionalization of quinoxalin-2(1H)-one without orientating group. Catalysis Science & Technology 2023, 13, 305.
（6）Lin J., Chen J., Ye Y., Zhuang Y., Sun, W.-M.* , Chen J. and Han Z.* In or on, a study of the influence of the binding site for TiO(2) and MIL-101(Cr). Dalton transactions 2023, 52, 5345-5353.
(7) Guo Y.-X., Liu B., Wang W.-L., Kang J., Chen J.-H. and Sun, W.-M.* Computational screening of metalloporphyrin-based drug carriers for antitumor drug 5-fluorouracil. Journal of Molecular Graphics and Modelling 2023, 125, 108617.
(8) Ye Y.-L., Wang W.-L., Sun, W.-M.* et al. Polymeric tungsten carbide nanoclusters as potential non-noble metal catalysts for CO oxidation. Nanoscale 2022, 14, 18231.
(9) Li Y.-Q., Cheng X., Jiang S., Song W.-X., Chen J.-H. and Sun, W.-M. Cyclometalatedgold(III)-hydride under oriented external electric fields: a new strategy to modulate its reactivity? Chemistry – A European Journal 2023, https://doi.org/10.1002/chem.202303568.
(10) Ye Y.-L., Zhang Z.-C., Ni B.-L., Yu D., Chen J.-H. and Sun, W.-M. Theoretical prediction of superatom WSi12-based catalysts for CO oxidation by N2O. Physical Chemistry Chemical Physics 2023, 25, 32525-32533.
2022年
(1) Ye, Y.-L.; Wang, W.-L.; Sun, W.-M.*; Yang, J.* Polymeric tungsten carbide nanoclusters as potential non-noble metal catalysts for CO oxidation. Nanoscale 2022, 14, 18231.
(2) Li, X.-H.; Cheng, X.; Wang, W.-L.; Yu, D.; Ni, B.-L.; Sun, W.-M.* Alkali-Metal-Free Coinage Metalides: Specific Pairing and Location of Doping Atoms Bring Forth High Stability and Considerable Nonlinear Optical Response. Organometallics 2022, 41, 3697.(3) Sun W.-M.*, Cheng X., Wang W.-L. and Li X.-H. Designing Magnetic Superalkalis with Extremely Large Nonlinear Optical Responses.Organometallics 2022, 41, 2406–2414.
(4) Sun W.-M.*, Cheng X., Ye Y.-L., Li X.-H. and Ni B.-L. On the Possibility of Using Aza-Cryptands to Design Superalkalis. Organometallics 2022.,1，412–417
(5) Zhang L., Cheng X., Li X.-H., Chen J.-H. and Sun W.-M.* A DFT study on the adsorption behavior of antiviral Favipiravir drug on BnNn(n = 12, 16, 20, and 24) nanocages: the size effect. Journal of Molecular Liquids 2022, 360, 119388.
(6) Xia Y., Chen T., Chen W., Chen G., Xu L., Zhang L., Zhang X., Sun W., Lan J., Lin X. and Chen J. A dual-modal aptasensor based on a multifunctional acridone derivate for exosomes detection. Analytica Chimica Acta 2022, 1191, 339279.
(7) Cheng X., Ye Y.-L., Zhang L., Zheng K.-W., Li X.-H. and Sun W.-M.* A theoretical study of the mono-substituent effect of superhalogens on the geometric structure, electronic properties, and hydrolysis of cisplatin. Chemical Physics 2022, 111447.
(8) Hou H., Ma X., Ye Y., Wu M., Shi S., Zheng W., Lin M., Sun W.* and Ke F. Non-metal-mediated N-oxyl radical (TEMPO)-induced acceptorless dehydrogenation of N-heterocycles via electrocatalysis. RSC Advances 2022, 12(9), 5483-5488.
(9) Huang K., Fang Q., Sun W., He S., Yao Q., Xie J., Chen W. and Deng H. Cucurbit[n]uril Supramolecular Assemblies-Regulated Charge Transfer for Luminescence Switching of Gold Nanoclusters. The journal of physical chemistry letters 2022, 419-426.
(10) Wu M., Huang S., Hou H., Lin J., Lin M., Zhou S., Zheng Z., Sun, W.-M.*and Ke F.* DIPEA-induced activation of OH− for the synthesis of amides via photocatalysis. RSC Advances 2022, 12, 14724-14728.
(11) Ye, Y.-L.; Pan, K.-Y.; Ni, B.-L.; Sun, W.-M.* Designing Special Nonmetallic Superalkalis Based on a Cage-like Adamanzane Complexant. Frontiers in Chemistry 2022, 10.
(12) Zeng, L.; Shi, W.; Wang, H.; Cheng, X.; Chen, T.; Wang, L. L.; Lan, J.; Sun, W.; Liu, M.; Zhang, X.; Zhang, J.; Chen, J. Codelivery of pi-pi Stacked Dual Anticancer Drugs Based on Aloe-Derived Nanovesicles for Breast Cancer Therapy. ACS applied materials & interfaces 2022.DOI :10.1021/acsami.2c06546
(13) Huang, K.-Y.; Huang, X.; Fang, X.-Y.; Cheng, S.; Sun, W.-M.; Noreldeen, H. A. A.; Zhang, Q.; Deng, H.-H.; Chen, W. De novo design of a photoluminescent sensor for baicalin detection via regulating molecule-like charge transfer of gold nanocluster. Sensors and Actuators B: Chemical 2022, 368, 132197.
(14) Chen, G.; Chen, W.; Xu, L.; Jin, H.; Sun, W.; Lan, J.; Wu, F.; Zhang, X.; Zhang, J.; Chen, J. Sensitive, Highly Stable, and Anti-Fouling Electrode with Hexanethiol and Poly-A Modification for Exosomal microRNA Detection. Analytical chemistry 2022, 94, 5382-5391.
(15) Deng H., Huang K., Xiu L., Sun W., Yao Q., Fang X., Huang X., Noreldeen H. A. A., Peng H., Xie J. and Chen W. Bis-Schiff base linkage-triggered highly bright luminescence of gold nanoclusters in aqueous solution at the single-cluster level. Nature Communications 2022, 13(1), DOI:10.1038/s41467-022-30760-3.
(16) Chen, W.; Liu, J.; Sun, W.; He, H.; Yu, S.; Li, Y.; Li, Z. Metalloborospherenes with the stabilized classical fullerene-like borospherene B36 as electric field manipulated second-order nonlinear optical switches. New Journal of Chemistry 2022. DOI: 10.1039/D2NJ04111A
(17)Srivastava, A. K.; Anusiewicz, I.; Velickovic, S.; Sun, W.-M.; Gutsev, G. L. Superhalogens & Superalkalis: Exploration of Structure, Properties and Applications; Frontiers Media, 2022.(Book)
2021年
(1) Zhang, L.; Ye, Y.-L.; Li, X.-H.; Chen, J.-H.;* Sun, W.-M.* On the potential of all-boron fullerene B40 as a carrier for anti-cancer drug nitrosourea. Journal of Molecular Liquids, 2021, 342, 117533.
(2) Zhang, X.-L.; Zhang, L.; Ye, Y.-L.; Li, X.-H.; Ni, B.-L.; Li, Y.; Sun, W.-M.* On the Role of Alkali-Metal-Like Superatom Al12P in Reduction and Conversion of Carbon Dioxide. Chemistry – A European Journal 2021, 27, 1039 – 1045.
(3) Zhang, L.; Ye, Y.-L.; Zhang, X.-L.; Li, X.-H.; Chen, Q.-H.; Chen, J.-H.; Sun, W.-M.* Cisplatin under oriented external electric fields: A deeper insight into electrochemotherapy at the molecular level. International Journal of Quantum Chemistry 2021, 121, e26578.
(4) Xue, D.; Wu, D.; Chen, Z.; Li, Y.*; Sun, W.; Liu, J.; Li, Z. On Close Parallels between the Zintl-Based Superatom Ge9Be and Chalcogen Elements. Inorganic chemistry 2021, 60, 3196-3206.
(5) Guo, H.; Sun, W.; Zhang, Q.; Wu, Y.; Wu, D.; Liu, Y.; Yu, B.; Yu, Q.*; Cai, M.* Journal of Molecular Liquids Imidazolium ionic liquid bearing urea moiety as a new corrosion inhibitor of mild steel. 2021, 334, 116484.
(6) Zhang, X.-L.; Ye, Y.-L.; Zhang, L.; Li, X.-H.; Yu, D.; Chen, J.-H.; Sun, W.-M.* Designing an alkali-metal-like superatom Ca3B for ambient nitrogen reduction to ammonia. Physical Chemistry Chemical Physics, 2021, 23, 18908-18915.
(7) Hu, Y.; Ma, X.; Hou, H.; Sun, W.-M.; Tu, S.; Wu, M.*; Lin, R.; Xu, X.; Ke, F.* Electrochemical Oxidative Synthesis of 2-Benzoylquinazolin-4(3H)-one via C(sp3)−H Amination under Metal-Free Condition. Catal. Sci. Technol. 2021, 11(6374-6379.
(8) Li, J.; Chen, W.; Liu, J.; Sun, W.; Li, Z.*; Li, Y.* Effects of the nanowire length on large second-order nonlinear optical responses: a theoretical investigation of the thinnest doped beryllium nanowires with IR and UV working wavebands. Dalton transactions, 2021, 50, 4613-4622.
(9) Zhang, L.; Guo, L.-F.; Huang, S.; Kang, J.*; Sun, W.-M.* Synthesis, Characterization and Biological Activity of Pr(Ⅲ) Complex Constructed by Pyridine-2,6-dicarboxylate. Chinese Journal of Inorganic Chemistry, 2021, 7, 1269-1276.
(10) Peng, H.; Xu, L.; Sheng, Y.; Sun, W.; Yang, Y.; Deng, H.; Chen, W.*; Liu, J. Highly Conductive Ligand-Free Cs2PtBr6 Perovskite Nanocrystals with a Narrow Bandgap and Efficient Photoelectrochemical Performance. Small, 2021, n/a, 2102149.
(11) Yu, D.; Sun, W.-M.*; Liu, J.-Y.; Wu, D.; Li, Y.*; Li, Z.-R. A systematic study of structures, stability, and electronic properties of alloy clusters AlBe (n = 1–12): Comparison with pure beryllium clusters. Polyhedron，2021, 196, 115005.
(12) Zhang, L.; Jiang, C.; Guo, L. F.; Zhang, X. L.; Lin, X. Q.; Kang, J.*; Sun, W. M.* Synthesis, Characterization, Antitumor Activity, and Theoretical Calculations of Co(II) Complex Based on Pyridine-2,6-dicarboxylic Acid. Chinese Journal of Inorganic Chemistry ，2021, 37,
368-374.
(13) Y. Xia, T. Chen, L. Zhang, X. Zhang, W. Shi, G. Chen, W. Chen, J. Lan, C. Li,* W. Sun*, J. Chen* Colorimetric detection of exosomal microRNA through switching the visible-light-induced oxidase mimic activity of acridone derivate. Biosensors & bioelectronics 2021, 173, 112834.
(14) Hou H., Ma X., Lin Y., Lin J., Sun W., Wang L., Xu X. and Ke F. Electrochemical synthesis of quinazolinone via I2-catalyzed tandem oxidation in aqueous solution. RSC Advances 2021, 11(29), 17721-17726.
(15) Hu Y., Hou H., Yu L., Zhou S., Wu X., Sun W.* and Ke F.* Electro-oxidative cyclization: access to quinazolinones via K2S2O8 without transition metal catalyst and base. RSC Advances 2021, 11(50), 31650-31655.
(16) Srivastava A. K., Anusiewicz I., Velickovic S., Sun W.-M. and Misra N. Editorial: Atomic Clusters: Theory & Experiments. Frontiers in Chemistry 2021, 9(954).
(17) Zhang T., He W., Song X., Wu D., Xia Y., Liu Y., Wu L., Sun W.*, Lin F.* and Chen J.* A colorimetric sensor for acid phosphatase activity detection based on acridone derivative as visible-light-stimulated oxidase mimic. Anal Chim Acta 2021, 1155(338357.
(18) Zhang L., Qi Z.-D., Ye Y.-L., Li X.-H., Chen J.-H. and Sun W.-M.* DFT study on the adsorption of 5-fluorouracil on B40, B39M, and M@B40 (M = Mg, Al, Si, Mn, Cu, Zn). RSC Advances 2021, 11(62), 39508-39517.
2020年
(1) Hao-Hua Deng, Kai-Yuan Huang, Shao-Bin He, Li-Ping Xue, Hua-Ping Peng, Dai-Jun Zha*, Wei-Ming Sun*, Xing-Hua Xia, Wei Chen*，Rational Design of High-Performance Donor–Linker–Acceptor Hybrids Using a Schiff Base for Enabling Photoinduced Electron Transfer. Analytical chemistry 2020, 92, 2019-2026.
(2) X. H. Li, X. L. Zhang, Q. H. Chen, L. Zhang, J. H. Chen, D. Wu, W. M. Sun*, Z. R. Li Coinage metalides: a new class of excess electron compounds with high stability and large nonlinear optical responses. Physical chemistry chemical physics : PCCP 2020, 22, 8476-8484.
(3) Xiang-Hui Li, Li Zhang, Xiao-Ling Zhang, Bi-Lian Ni, Chun-Yan Li, Wei-Ming Sun* Designing a new class of excess electron compounds with unique electronic structures and extremely large non-linear optical responses. New Journal of Chemistry 2020, 44, 6411-6419.
(4) Xiao-Ling Zhang, Li Zhang, Jing-Hua Chen, Chun-Yan Li, Wei-Ming Sun* On the Interaction between Superatom Al12Be and DNA Nucleobases/Base Pairs: Bonding Nature and Potential Applications in O2 Activation and CO Oxidation. ACS Omega 2020, 5, 15325-15334
(5) Dan Yu, Di Wu, Jing-Yao Liu, Ying Li, Wei-Ming Sun Unveiling the potential of superalkali cation Li3+ for capturing nitrogen. Physical Chemistry Chemical Physics 2020, 22, 26536-26543.
(6) Qinghua Weng, Jinquan Yi, Xiaoping Chen, Dengwang Luo, Yaduan Wang, Weiming Sun, Jie Kang, Zhizhong Han Controllable Synthesis and Biological Application of Schiff Bases from d-Glucosamine and Terephthalaldehyde. ACS Omega 2020, 5, 24864-24870.
(7) Bilian Ni, Weiming Sun, Jie Kang, Yongfan Zhang Understanding the Linear and Second-Order Nonlinear Optical Properties of UiO-66-Derived Metal–Organic Frameworks: A Comprehensive DFT Study. The Journal of Physical Chemistry C 2020, 124, 11595-11608.
(8) Weihong Chen, Jing Li, Jiayuan Liu, Weiming Sun, Zhiru Li, Ying Li Theoretical investigation of perfect fullerene-like borospherene Ih-B20 protected by alkaline earth metal: multi-layered spherical electride molecules as electric field manipulated second-order nonlinear optical switches. Dalton transactions 2020, 49, 15267-15275.
(9) 张莉，潘凯云，张小玲，孙伟明 新型冠状病毒(SARS-CoV-2) RNA聚合酶抑制剂的密度泛函理论计算辅助筛选. 药物化学 2020, 08, 29-37.
(10) 林雄强, 张小玲, 张 莉, 康 杰, 孙伟明 具有抗癌活性的金属配合物的量子化学研究进展. 药物化学 2020, 08, 7-13.
(11) 陈秋如, 郭亚星, 江 珊, 林清叶, 孙伟明 姜黄素金属配合物的合成及其在医药领域的应用研究进展. 药物化学 2020, 8.
2019年
(1) Chuanhui Huang#, Juncai Dong#, Weiming Sun#, Zhenjie Xue, Jun Ma, Lirong Zheng, Cong Liu, Xiao Li, Kang Zhou, Xuezhi Qiao, Qian Song, Wende Ma, Lan Zhang, Zhenyu Lin, Tie Wang Coordination mode engineering in stacked-nanosheet metal–organic frameworks to enhance catalytic reactivity and structural robustness. Nature Communications 2019, 10, 2779.
(2) Sun W. M.*, Zhang X. L., Pan K. Y., et al. On the Possibility of Using the Jellium Model as a Guidance to Design Bimetallic Superalkali Cations. Chemistry–A European Journal, 2019, 25, 4358-4366 (Inner Cover).
(3) Sun, W.-M.*; Wu, D.* Recent Progress on the Design, Characterization, and Application of Superalkalis. Chemistry-A European Journal, 2019, DOI: 10.1002/chem.201901460 (Review).
(4) Hou, N.*; Sun, W.-M.*; Du, F.-Y.; Wu, H.-S. Effect of (Super)alkali Doping on the Electronic and Second-order Nonlinear Optical Properties of Graphitic C3N4. Optik - International Journal for Light and Electron Optics 2019, 183, 455.
(5) Sun, W. M. *; Zhang, X.-L.; Pan, K.-Y.; Li, Y.; Li, C.-Y.; Chen, J.-H.; Wu, D.; Li, Z.-R. Theoretical investigation on the low-energy isomer identification, structural evolution, stability, and electronic properties of Al10–xBex (x = 1–9) nanoalloys. Journal of Molecular Graphics and Modelling 2019, 87, 56-67.
(6) Y. Xia, W. He, J. Li, L. Zeng, T. Chen, Y. Liao, W. Sun, J. Lan, S. Zhuo, J. Zhang, H. Yang, J. Chen Acridone Derivate Simultaneously Featuring Multiple Functions and Its Applications. Analytical chemistry 2019, 91, 8406-8414.
(7) C. Huang, X. Qiao, W. Sun, H. Chen, X. Chen, L. Zhang, T. Wang Effective Extraction of Domoic Acid from Seafood Based on Postsynthetic-Modified Magnetic Zeolite Imidazolate Framework-8 Particles. Analytical chemistry 2019, 91, 2418-2424.
(8) Hui-Min He, Josep M. Luis, Wei-Hong Chen, Dan Yu, Ying Li, Di Wu, Wei-Ming Sun, Zhi-Ru Li Nonlinear optical response of endohedral all-metal electride cages 2e−Mg2+(M@E12)2−Ca2+ (M = Ni, Pd, and Pt; E = Ge, Sn, and Pb). Journal of Materials Chemistry C 2019, 7, 645-653.
(9) Wei-Hong Chen, Hui-Min He, Ying Li, Hui Yang, Jia-Yuan Liu, Dan Yu, Di Wu, Zhong-Jun Zhou, Wei-Ming Sun, Feng-Long Gu, Zhi-Ru Li Small Janus dimer as electric field manipulated molecular clam switch and electric information storage unit. International Journal of Quantum Chemistry 2019, 119, e26005.
(10) 黄 婷, 赵如意, 徐文林, 连媛媛, 孙伟明, 陈敬华 基于近红外光谱技术快速检测中药制剂中马兜铃酸含量的实验研究. 福建医药杂志 2019, 41, 112-116.
(11) 连媛媛, 熊乾威, 杨木莎, 蓝真红, 李祥辉, 孙伟明 基于近红外光谱技术快速检测椰汁品质. 食品工业科技 2019.
(12) 李祥辉, 连媛媛, 杨木莎, 蓝真红, 孙伟明 采用近红外光谱技术快速检测桃汁原汁含量的方法研究. 福州大学学报(自然科学版) 2019, 47, 124-128
(13) 李祥辉1，杨文胜2，张小玲2，于丹3，倪碧莲2，孙伟明 六种酪氨酸激酶抑制剂的电子结构与药效关系的理论研究. 计算机与应用化学 2019, 36, 223-233.
(14) 陈程云, 康杰, 孙伟明, 翁清花, 黄胜 新型锌配合物的合成、表征与生物活性的研究. 海峡药学 2019, 31, 54-57.
2018年
(1) Sun, W. M. *; Chen, C. Y.; Li, C. Y.; Wu, D.; Kang, J.; Li, Y.; Li, Z. R. * Boron-Substituted Coronene: Intriguing Geometric and Electronic Properties, and Large Nonlinear Optical Response. Chemphyschem 2018, 19, 2518-2524.
(2) Sun, W.-M. *; Li, C.-Y.; Kang, J.; Wu, D.; Li, Y.; Ni, B.-L.; Li, X.-H.; Li, Z.-R. Superatom Compounds under Oriented External Electric Fields: Simultaneously Enhanced Bond Energies and Nonlinear Optical Responses. The Journal of Physical Chemistry C 2018, 122, 7867-7876.
(3) Sun, W.-M. *; Wu, D.; Kang, J.; Li, C.-Y.; Chen, J.-H.; Li, Y.; Li, Z.-R. Decorating Zintl polyanions with alkali metal cations: A novel strategy to design superatom cations with low electron affinity. Journal of Alloys and Compounds 2018, 740, 400-405.
(4) Hui-Hui Jiang, Hui-Min He, Ying Li, Di Wu, Jia-Yuan Liu, Hui Yang, Wei-Ming Sun, Rong-Lin Zhong, Zhong-Jun Zhou, Jian-Hua Hou, Jia-Jun Wang, Zhi-Ru Li Finding all-nonmetal transition-metal-like superatom and its magnetic building block. International Journal of
Quantum Chemistry 2018, 118, e25570.
(6) Cheng-Yun Chen, Wei-Ming Sun, Qing-Hua Weng, Sheng Huang, Jie Kang Synthesis, Characterization, Optical Property and Bioactivity of the Eu(Ⅲ) Complex with Aromatic Carboxylic Triazole. Chinese J. Struct. Chem. 2018, 37, 1711─1717.
(7) 黄婷, 徐文林, 徐文林, 赵如意, 孙伟明, 李祥辉 近红外光谱技术在中药及其制剂的鉴定分析中的应用. 广东化工 2018, 45, 59-60.
2017年
(1) Sun, W.-M. *; Ni, B.-L.; Wu, D.; Lan, J.-M.; Li, C.-Y.; Li, Y.; Li, Z.-R. Designing Alkalides with Considerable Nonlinear Optical Responses and High Stability Based on the Facially Polarized Janus all-cis-1,2,3,4,5,6-Hexafluorocyclohexane. Organometallics 2017, 36, 3352-3359.
(2) Sun, W. M. *; Li, X. H.; Wu, J.; Lan, J. M.; Li, C. Y. *; Wu, D.; Li, Y.; Li, Z. R. Can Coinage Metal Atoms Be Capable of Serving as an Excess Electron Source of Alkalides with Considerable Nonlinear Optical Responses? Inorganic Chemistry 2017, 56, 4594-4600.
(3) Jia-Yuan Liu, Hai-Di Ma, Yan-bo Sun, Ying Li, Wei-Ming Sun, Di Wu, Zhi-Ru Li Hyperhalogen properties of early-transition-metal borates.
RSC Advances 2017, 7, 47073-47082.
(4) J. Lan, Y. Liu, L. Li, F. Wen, F. Wu, Z. Han, W. Sun, C. Li, J. Chen A upconversion luminescene biosensor based on dual-signal amplification
for the detection of short DNA species of c-erbB-2 oncogene. Scientific reports 2016, 6, 24813.
(5) Hui-Min He, Ying Li, Wei-Ming Sun, Jia-Jun Wang, Di Wu, Rong-Lin Zhong Zhong-Jun Zhou, Zhi-Ru Li All-metal electride molecules CuAg@ Ca 7 M (M= Be, Mg, and Ca) with multi-excess electrons and all-metal polyanions: molecular structures and bonding modes as well as large infrared nonlinear optical responses Dalton Trans. 2016, 45, 2656-2665.
2016年
(1) Sun, W.-M. *; Li, X.-H.; Li, Y.; Liu, J.-Y.; Wu, D. *; Li, C.-Y.; Ni, B.-L.; Li, Z.-R. On the feasibility of designing hyperalkali cations using superalkali clusters as ligands. Journal of Chemical Physics 2016, 145, 194303.
(2) Sun, W. M.; Li, X. H.; Li, Y.; Ni, B. L.; Chen, J. H.; Li, C. Y. *; Wu, D. *; Li, Z. R. Theoretical Study of the Substituent Effect on the Nonlinear Optical Properties of a Room-temperature-Stable Organic Electride. Chemphyschem 2016, 17, 3907-3915.
(3) Sun, W. M. *; Li, Y.; Li, X. H.; Wu, D. *; He, H. M.; Li, C. Y.; Chen, J. H.; Li, Z. R. Stability and Nonlinear Optical Response of Alkalides that Contain a Completely Encapsulated Superalkali Cluster. Chemphyschem 2016, 17, 2672-2678.
(4) Sun, W.-M.; Li, X.-H.; Wu, D.; Li, Y.; He, H.-M.; Li, Z.-R.*; Chen, J.; Li, C.* A theoretical study on superalkali-doped nanocages: unique inorganic electrides with high stability, deep-ultraviolet transparency, and considerable nonlinear optical response. Dalton Transactions 2016, 45, 7500–7509.
(5) Sun, W.-M.; Li, X.-H.; Li, Y.; Wu, D.*; Li, C.-Y.; Chen, J.-H.*; Li, Z.-R. Can Fluorinated Molecular Cages Be Utilized as Building Blocks of Hyperhalogens? Chemphyschem 2016, 17, 1468 -1474.
(6) Sun, W.-M.; Wu, D.*; Li, X.-H.; Li, Y.; Chen, J.-H.; Li, C.; Liu, J.-Y.; Li, Z.-R. Quasi-chalcogen Characteristics of Al12Be: A New Member of Three-dimensional Periodic Table. The Journal of Physical Chemistry C 2016, 120, 2464-2471.
2016年以前
(1) Sun, W. M.; Hou, D.; Wu, D.; Li, X. H.; Li, Y. *; Chen, J. H.; Li, C. Y.; Li, Z. R. Theoretical characterization of a series of N5-based aromatic hyperhalogen anions. Dalton Transaction 2015, 44, 19901-8.
(2) Sun, W.-M.; Wu, D.*; Li, Y.; Liu, J.-Y.; He, H.-M.; Li, Z.-R. A theoretical study on novel alkaline earth-based excess electron compounds: unique alkalides with considerable nonlinear optical responses. Phys. Chem. Chem. Phys. 2015, 17, 4524-4532.
(3) Sun, W. M.; Fan, L. T.; Li, Y.; Liu, J. Y.; Wu, D.*; Li, Z. R. On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties. Inorganic Chemistry 2014, 53, 6170-6178.
(4) Sun, W. M.; Wu, D.; Li, Y.*; Li, Z. R. Theoretical study on superalkali (Li3) in ammonia: novel alkalides with considerably large first hyperpolarizabilities. Dalton Trans 2014, 43, 486-94.
(5) Sun, W.-M.; Wu, D.; Li, Y.*; Li, Z.-R. Substituent Effects on the Structural Features and Nonlinear Optical Properties of the Organic Alkalide Li+(calix[4]pyrrole)Li−. ChemPhysChem 2013, 14, 408-416.
(6) Sun, W.-M.; Li, Y.; Wu, D. *; Li, Z.-R. Designing Aromatic Superatoms. The Journal of Physical Chemistry C 2013, 117, 24618-24624.
(7) Sun, W. M.; Li, Y.; Wu, D. *; Li, Z. R. Evolution of the structural and electronic properties of beryllium-doped aluminum clusters: comparison with neutral and cationic aluminum clusters. Physical Chemistry Chemical Physics 2012, 14, 16467-16475.
(8) W. M. Liang, Z. X. Zhao, D. Wu, W. M. Sun, Y. Li, Z. R. Li Theoretical study on alkali-metal doped N3H3 complexes: an in-depth understanding of the origin of electride and alkalide and their large nonlinear optical properties. Journal of molecular modeling 2015,
21, 311.
(9) D. Hou, D. Wu, W. M. Sun, Y. Li, Z. R. Li Evolution of structure, stability, and nonlinear optical properties of the heterodinuclear CNLi (n=1-10) clusters. Journal of molecular graphics & modelling 2015, 59, 92-99.
(10) J. Y. Liu, D. Wu, W. M. Sun, Y. Li, Z. R. Li Trivalent acid radical-centered YLi (Y = PO, AsO, VO) cations: new polynuclear species designed to enrich the superalkali family. Dalton transactions 2014, 2014, 43, 18066-18073.
(11) Hui-Min He, Zhi-Ru Li, Ying Li, Wei-Ming Sun, Jia-Jun Wang, Jia-yuan Liu, Di Wu Unusual Manipulative Effects of Spin Multiplicity and Excess Electron Number on the Structure and Nonlinear Optical Response in New Linear and Cyclic Electride Molecules with Multiexcess Electrons. The Journal of Physical Chemistry C 2014, 118, 23937-23945.
(12) Peiwei Gong, Jinqing Wang, Weiming Sun, Di Wu, Zhaofeng Wang, Zengjie Fan, Honggang Wang, Xiuxun Han, Shengrong Yang Tunable photoluminescence and spectrum split from fluorinated to hydroxylated graphene. Nanoscale 2014, 6, 3316-3324.