Guiqiang Pu, Xing Chen, Jiaqiang Wang, Liangliang Liang, Xiaodan Cui, Manman Fang, Xiaogang Liu*, Zhen Li*. Chemical Engineering Journal, DOI: 10.1016/j.cej.2025.159462
65. Machine Learning Descriptors for CO Activation on Iron-based Fischer-Tropsch Catalyst.
Yuhan Lin, Ushna, Quan Lin, Chongyang Wei, Yue Wang, Shouying Huang*, Xing Chen*, Xinbin Ma. Journal of Catalysis, DOI:10.1016/j.jcat.2024.11592.
64. In situ Conversion Reaction of Magnesium Fluoride to Boost the Performance of Sulfide-Based Electrolyte Li6PS5Cl for All-Solid-State Lithium Metal Batteries.
Yuzhe Zhang, Haolong Chang, Xiaohu Hu, Shijie Xu, Xinyu Wang, Shunjin Yang, Yujiang Sun, Xiao Sun, Dehang Ren,
Xing Chen*, Fangyi Cheng, Yongan Yang*. Inorganic Chemistry Frontiers, 2025, DOI: 10.1039/D4QI02717E
63. Near Field Response of Molecules Coupled with Plasmons at Atomistic Resolution.
Huijie He, Xueyang Zhen, Shuang Li, Sibing Chen, Xing Chen*. Nanoscale Horizons, 2025, 10, 165-171.
62. Insights into the dynamics of supported Au nanoparticles in the wet environments from first-principles and ReaxFF MD simulations.
Siyuan Yang, Shuang Li, Weiwei Zhang*, Langli Luo*, Xing Chen*. Applied Surface Science, 2025, 679, 161232.
61. Phase Separation of CuPd Alloy Nanocatalysts in CO Oxidation.
Zhongliang Cao, Zejian Dong, Siyuan Yang, Ronghua Cui, Lifeng Zhang, Xing Chen, Langli Luo*. ACS Nano, DOI:10.1021/acsnano.4c13102
60. DFT-based calculation of vibrational sum frequency generation spectral features of crystalline β-sheets in silk: Polarization and azimuth angle dependences.
Jihyeong Ryu, Sibing Chen, Juseok Choi, Xing Chen, Seong H. Kim*. The Journal of Chemical Physics, 2014, 161(23):234901.
Xin Zhang, Huijie He, Chang Ge, Qin Xiang, Sota Sato, Menglan Lv, Xing Chen*, Zhe Sun*. Angewandte Chemie International Edition, 2024, DOI:10.1002/anie.202418261
Jieyu Liu, Shuoao Wang, Yunyan Tian, Haiqiang Guo, Xing Chen, Weiwei Lei, Yifu Yu*, Changhong Wang*. Angewandte Chemie International Edition, DOI: 10.1002/anie.202414314
Yuzhe Zhang, Haolong Chang, Aiguo Han, Shijie Xu, Xinyu Wang, Shunjin Yang, Xiaohu Hu, Yujiang Sun, Xiao Sun, Xing Chen, Yang Y*. Green Energy & Environment, 2024, DOI: 10.1016/j.gee.2024.07.001
Hui-Long Jin, Qian-Nan Li, Yun-Yan Tian, Shuo-Ao Wang, Xing Chen, Jie-Yu Liu*, Chang-Hong Wang*. Rare Metal, 2024, DOI: 10.1007/s12598-024-02833-3
55. 1,1′-Biolympicenyl: A Stable Non-Kekulé Diradical with a Small Singlet and Triplet Energy Gap.
Taoyu Weng, Zhuofan Xu, Ke Li, Yupeng Guo, Xing Chen, Zhaoyang Li, Zhe Sun*. Journal of the American Chemical Society, 2024, 146, 38, 26454–26465.
Jinlian Hu, Qin Xiang, Xiaoqi Tian, Lei Ye, Yanpei Wang, Yong Ni, Xing Chen, Yuxia Liu, Guang Chen, Zhe Sun*. Journal of the American Chemical Society, 2024;146(15):10321-30.
51. Geometric edge effect on the interface of Au/CeO2 nanocatalysts for CO oxidation.
Hongpeng Liu, Zhongliang Cao, Siyuan Yang, Qingye Ren, Xejian Dong, Wei Liu, Zi-An Li, Xing Chen*, Langli Luo*. Nano Research, 2024;17(6):4986-93.
Huixing Gao, Huijie He, Lulu Zhang, Zuofang Feng, Xing Chen*, Yilong Lei*. Advanced Optical Materials, 2024;12(21): 2400619.
49. A bioinspired sulfur-surrounded iron catalyst for ammonia synthesis.
Na Zhang, Yubing Si, Qiang Fu, Xing Chen*.Journal of Materials Chemistry A, 2024;12:11602-11611.
2023
48.Han A, Xu S, Wang X, Chang H, Tian R, Zhang X, Chen X, Song D, Yang Y*. Toward High‐Quality Sulfide Solid Electrolytes: A Liquid‐Phase Approach Featured with an Interparticle Coupled Unification Effect. Small. 2023:2307997.
47.Yang S, Hu X, Xu S, Han A, Zhang X, Zhang N, Chen X, Tian R, Song D, Yang Y*. Synthesis of Deliquescent Lithium Sulfide in Air. ACS Applied Materials & Interfaces. 2023;15(34):40633-47.
46.Li Y, Li W, Hu J, Yao X, Hua L, Cai W, Shi S, Zhang C, Liu Z, Li S, Chen X, Sun Z, Ren Z, Tang M-C, Wei G, Fei Z*. Sulfide, Sulfoxide, and Sulfone Substitution: Electron Structure Modulation from Para‐D‐π‐B to Para‐A‐π‐B in Multiple‐Resonance Emitters with Narrowband Emission and High Color Purity. Advanced Optical Materials. 2023;11(14):2300298.
45.Zhang B, Zhang BS, Wang Y, Zhang N, Zhu J, Ji W, Chen F, Chen X, Yu Y*. Zhang B*. Electromagnetic field-assisted low-temperature ammonia synthesis. Science Bulletin. 2023;68(17):1871-1874.
44.Liu Z, Jiang T, Li Y, Lou Y, Zhang C, Li J, Sun Y, Chen X, Li L, Tian H, Ji D*, Fei Z*. Modulating the Alkylation Position on Terminal Thiophene Ring of Naphtho [2, 3-b: 6, 7-b′] Bithieno [2, 3-d] Thiophene (NBTT) for High-Performance Organic Optoelectronic Devices. ACS Applied Materials & Interfaces. 2023;15(13):16930-41.
43.Zhang N, Si Y, Chen X*, Wang X, Yao J. Bimetallic synergy in single-atom alloy nanocatalysts for CO2 reduction to ethylene. ACS Applied Nano Materials. 2023;6(4):2394-402.DOI:10.1021/acsanm.2c04474
42.Xia J, Zhang N, Yang Y, Chen X, Wang X*, Pan F, Yao J*. Lanthanide Contraction Builds Better High‐Voltage LiCoO2 Batteries. Advanced Functional Materials. 2023;33(8):2212869.
41.Hou B, Li K, He H, Hu J, Xu Z, Xiang Q, Wang P, Chen X*, Sun Z*. Stable Crystalline Nanohoop Radical and Its Self‐Association Promoted by van der Waals Interactions. Angewandte Chemie International Edition. 2023;62(14):e202301046. DOI: 10.1002/anie.202301046
40.Ren Q, Zhang N, Dong Z, Zhang L, Chen X*, Luo L*. Structural evolution of Cu2O nanocube electrocatalysts for the CO2 reduction reaction. Nano Energy. 2023;106:108080. DOI: 10.1016/j.nanoen.2022.108080
39.Hu C#, Chen X#, Low J, Yang YW, Li H, Wu D, Chen S, Jin J, Li H, Ju H, Wang CH. Near-infrared-featured broadband CO2 reduction with water to hydrocarbons by surface plasmon. Nature communications. 2023;14(1):221. DOI: 10.1038/s41467-023-37241-1
2022
38.Dong Z, Zhang N, Wang S, Liu Y, Zhang L, Chen X*, Luo L*. In situ structural dynamics of atomic defects in tungsten oxide. The Journal of Physical Chemistry Letters. 2022;13(31):7170-6. DOI: 10.1021/acs.jpclett.2c01942
37.Zhang N, Chen X, Sun C, Xie W*, Wang X*, Yao J. Revealing the key role of bonding states in surface chemisorption. Chemical Engineering Science. 2022;249:117345.
36.Guo Y, Ding S, Zhang N, Xu Z, Wu S, Hu J, Xiang Q, Li ZY, Chen X, Sato S, Wu J, Sun Z*. π-Extended doublet open-shell graphene fragments exhibiting one-dimensional chain stacking. Journal of the American Chemical Society. 2022;144(5):2095-100.
35.Lai Z, Wu R, Li J, Chen X, Zeng L, Wang X, Guo J, Zhao Z, Sajiki H, Cui S*. Multicomponent double Mannich alkylamination involving C (sp2)–H and benzylic C (sp3)–H bonds. Nature Communications. 2022;13(1):435.
2021
34.Li K, Xu Z, Xu J, Weng T, Chen X, Sato S, Wu J, Sun Z*. Overcrowded Ethylene-Bridged Nanohoop Dimers: Regioselective Synthesis, Multiconfigurational Electronic States, and Global Hückel/Möbius Aromaticity. Journal of the American Chemical Society. 2021;143(48):20419-30.
33.Wei J, Ding J, Li M*, Dai W, Yang Q, Feng Y, Yang C, Yang W, Wang MY, Chen X, Chen Y, Ma X*. Computational Insight into the ligand effect on the original activity of Rh-catalyzed formaldehyde hydroformylation. The Journal of Physical Chemistry C. 2021;125(46):25514-24.
32.Becca JC, Chen X, Jensen L. A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy in solution. The Journal of Chemical Physics. 2021;154(22).
31.Chae I, Bokhari SM, Chen X, Zu R, Liu K, Borhan A, Gopalan V, Catchmark JM, Kim SH*. Shear-induced unidirectional deposition of bacterial cellulose microfibrils using rising bubble stream cultivation. Carbohydrate Polymers. 2021;255:117328.
2020
30.Chae I, Ngo D, Chen Z, Kwansa AL, Chen X, Meddeb AB, Podraza NJ, Yingling YG, Ounaies Z, Kim SH*. Anisotropic Optical and Frictional Properties of Langmuir–Blodgett Film Consisting of Uniaxially‐Aligned Rod‐Shaped Cellulose Nanocrystals. Advanced Materials Interfaces. 2020;7(9):1902169.
2019
29.Liu P#, Chen X#, Ye H, Jensen L*. Resolving molecular structures with high-resolution tip-enhanced Raman scattering images. ACS nano. 2019;13(8):9342-51.
28.Chen X, Liu P, Hu Z, Jensen L*. High-resolution tip-enhanced Raman scattering probes sub-molecular density changes. Nature communications. 2019;10(1):2567.
27.Zhu Q, Feng S, Guo X, Chen X, Zhang J*. Strategy for tuning the up-conversion intersystem crossing rates in a series of organic light-emitting diodes emitters relevant for thermally activated delayed fluorescence. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2019;221:117214.
26.Chen X, Liu P, Jensen L*. Atomistic electrodynamics simulations of plasmonic nanoparticles. Journal of Physics D: Applied Physics. 2019;52(36):363002.
25.Hu C#, Chen X#, Jin J, Han Y, Chen S, Ju H, Cai J, Qiu Y, Gao C, Wang C, Qi Z, Long R*, Song L, Liu Z, Xiong Y*. Surface plasmon enabling nitrogen fixation in pure water through a dissociative mechanism under mild conditions. Journal of the American Chemical Society. 2019;141(19):7807-14.
2018
24.Guo C#, Chen X#, Ding SY, Mayer D, Wang Q, Zhao Z, Ni L, Liu H, Lee T, Xu B, Xiang D*. Molecular orbital gating surface-enhanced Raman scattering. ACS nano. 2018;12(11):11229-35.
23.Zhang W, Chen X*, Van Duin AC*. Isotope effects in water: Differences of structure, dynamics, spectrum, and proton transport between heavy and light water from ReaxFF reactive force field simulations. The journal of physical chemistry letters. 2018;9(18):5445-52.
22.Lee J#, Tallarida N#, Chen X#, Jensen L*, Apkarian VA*. Microscopy with a single-molecule scanning electrometer. Science Advances. 2018;4(6):eaat5472.
21.Zhao Z, Liu R, Mayer D, Coppola M, Sun L, Kim Y, Wang C, Ni L, Chen X, Wang M, Li Z*, Lee T*, Xiang D*. Shaping the Atomic‐Scale Geometries of Electrodes to Control Optical and Electrical Performance of Molecular Devices. Small. 2018;14(15):1703815.
20.Chen X, Jensen L*. Morphology dependent near-field response in atomistic plasmonic nanocavities. Nanoscale. 2018;10(24):11410-7.
2017
19.Lee J, Tallarida N, Chen X, Liu P, Jensen L, Apkarian VA*. Tip-enhanced Raman spectromicroscopy of Co (II)-tetraphenylporphyrin on Au (111): Toward the chemists’ microscope. ACS Nano. 2017;11(11):11466-74.
18.Chen X, Lee CM, Wang HF, Jensen L*, Kim SH*. Experimental and theoretical study of azimuth angle and polarization dependences of sum-frequency-generation vibrational spectral features of uniaxially aligned cellulose crystals. The Journal of Physical Chemistry C. 2017;121(34):18876-86.
17.Lee CM#, Chen X#, Weiss PA, Jensen L, Kim SH. Quantum mechanical calculations of vibrational sum-frequency-generation (SFG) spectra of cellulose: dependence of the CH and OH peak intensity on the polarity of cellulose chains within the SFG coherence domain. The journal of physical chemistry letters. 2017;8(1):55-60.
2016
16.Chiang N, Chen X, Goubert G, Chulhai DV, Chen X, Pozzi EA, Jiang N, Hersam MC, Seideman T, Jensen L, Van Duyne RP*. Conformational contrast of surface-mediated molecular switches yields Ångstrom-scale spatial resolution in ultrahigh vacuum tip-enhanced Raman spectroscopy. Nano letters. 2016;16(12):7774-8.
15.Chen X, Jensen L*. Understanding the shape effect on the plasmonic response of small ligand coated nanoparticles. Journal of Optics. 2016;18(7):074009.
14.Chulhai DV, Chen X, Jensen L. Simulating ensemble-averaged surface-enhanced Raman scattering. The Journal of Physical Chemistry C. 2016;120(37):20833-42.
13.Chulhai DV, Hu Z, Moore JE, Chen X, Jensen L*. Theory of linear and nonlinear surface-enhanced vibrational spectroscopies. Annual review of physical chemistry. 2016;67:541-64.
2015
12.Chen X, Moore JE, Zekarias M, Jensen L*. Atomistic electrodynamics simulations of bare and ligand-coated nanoparticles in the quantum size regime. Nature communications. 2015;6(1):8921.
11.Wu Z, Mu J, Wang Q, Chen X, Jensen L, Yi C, Li MJ*. Hydroxyl and amino functionalized cyclometalated Ir (III) complexes: Synthesis, characterization and cytotoxicity studies. Journal of Organometallic Chemistry. 2015;791:175-82.
pre-2013
10.Zhang W, Chen X, Liang W, Zhao Y*. Electron transfer pathways in the z-schematic donor-donor-acceptor organic solar cells. Commun. Comput. Chem. 2013;1:132-44.
9.Chen X, Rinkevicius Z, Ruud K*, Ågren H*. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic π radicals. The Journal of Chemical Physics. 2013;138(5).
8.Chen X, Tian G, Rinkevicius Z*, Vahtras O*, Cao Z*, Ågren H, Luo Y. Spectral character of intermediate state in solid-state photoarrangement of α-santonin. Chemical Physics. 2012;405:40-5.
7. Chen X, Rinkevicius Z, Luo Y, Ågren H*, Cao Z*. Theoretical Studies on the Photoinduced Rearrangement Mechanism of α‐Santonin. ChemPhysChem. 2012;13(1):353-62.
6.Chen X, Rinkevicius Z, Luo Y, Ågren H*, Cao Z*. Role of the 3 (ππ*) State in Photolysis of Lumisantonin: Insight from ab Initio Studies. The Journal of Physical Chemistry A. 2011;115(26):7815-22.
5.Chen X, Rinkevicius Z*, Cao Z, Ruud K, Ågren H*\. Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic molecules. Physical Chemistry Chemical Physics. 2011;13(2):696-707.
4.Huang B, Chen X, Cao Z*. DFT Study on Polydiacetylenes and Their Derivatives. Journal of Theoretical and Computational Chemistry. 2009;8(05):871-80.
3.Chen X, Zhao Y, Cao Z*. Theoretical study on the dual fluorescence of 2-(4-cyanophenyl)-N, N-dimethylaminoethane and its deactivation pathway. The Journal of chemical physics. 2009 Apr;130(14).
2.Zhang J, Li Y, Li J, Chen X, Cao Z*. Theoretical studies on structures and electronic spectra of linear carbon chains C2nH+ (n= 1− 5). International Journal of Quantum Chemistry. 2009;109(5):1116-26.
1.Chen X, Xu X, Cao Z*. Theoretical study on the singlet excited state of pterin and its deactivation pathway. The Journal of Physical Chemistry A. 2007;111(38):9255-62.