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​Publications

2024
2025

2025 (13 articles)

87. 2025-13 accepted on 2025-08-22

Y.-C. Wang, C.-S. Chen, H.-Y. T. Chen, F.-Y. Ouyang*. "Influence of Solute Doping on Nanotwinning, Texture, and Properties of Co-Sputtered Ag-Cu Alloy Thin Films." Applied Surface Science Advances. IF: 8.7

86. 2025-12 published on 2025-08-29

A. K. Anbalagan*, W.-K. Chan, M.-H. Wu, F.-C. Hu, H.-H. Chiu, A. Sabbah, M. Chaudhary, S. Gupta, K.-W. Chuang, A. C. Gandhi, C.-Y. Chiang, H.-M. Tsai, S.-C. Haw, K. V. Savunthari, H.-J. Lin, L.-C. Chen, K.-H. Chen, N.-H. Tai, Y.-L. Chueh, S.-Y. Wu, H.-Y. T. Chen*, A. L. Walter*, and C.-H. Lee*. "Revealing Robust Room Temperature Ferromagnetism in Gd-Doped Few-Layered MoS2 Thin Films." Advanced Science. IF: 14.1

85. 2025-11 accepted on 2025-08-15

C.-H. Lee, J.-W. Lee, H.-Y. T. Chen*. "Optimising Descriptors to Correlate Stability of C- or N-doped High Entropy Alloys: A Combined DFT and Machine-Learning Regression Study." Faraday Discussions. IF: 3.1

84. 2025-10 accepted on 2025-08-03

S. Najman, P.-Y. Yang, Y.-X. Yang, H.-Y. T. Chen*, C.-W. Pao, C.-C. Chang*. "Unveiling Origins of Mixed Quantum-Well Width Distributions in 2D Ruddlesden–Popper Perovskites via Machine Learning-Enabled Multiscale Simulations." Small Methods. IF: 9.1

83. 2025-9 published on 2025-07-23

Y. Chen, W. Xuan, W. Zhang, M. Nagarathinam, G. Zhao, J. Tao, J. Li, L. Zhang, Y. Lin*, Y. Niu, H.-Y. T. Chen*, S. Menkin, D. S. Wright, C. P. Grey, O. V. Kolosov, and Z. Huang. "Hidden Subsurface Molecular Bubbles in Graphite Anodes for LIBs." Energy & Environmental Science. IF: 30.8

82. 2025-8 published on 2025-07-01

L.-J. Yang, W. Xuan, S. Henda, S. Wang, S. K. Rajendran, D. B. Cordes, D. N. Miller, A. M. Z. Slawin, L. K. Jagadamma, H. Ohadi, H.-Y. T. Chen, M. S. Dyer, and J. L. Payne. "Advancing intercalation strategies in layered hybrid perovskites by bringing together synthesis and simulations." Nature Communications. IF: 15.7

​81. 2025-7  published on 2025-06-20

F.-R. Hsu, Y.-C. Chen, C.-H. Yeh, H.-Y. Lin, H.-Y. T. Chen, J. M. Wu. "Boosting Piezoelectric Catalytic Ammonia Synthesis: A Synergistic Approach with Sulfur Vacancy Engineered CdS Pyramid-Surface Nanospheres" Nano Energy. IF: 17.1​

​80. 2025-6  published on 2025-05-08

B. Papnai, Y. Nguyen, P. S. Borhade, H.-Y. T. Chen, Y.-P. Hsieh, and M. Hofmann*. "Mitigating Defectiveness in 2D Materials Devices by a Visualization-Assisted Fabrication Process" Advanced Electronic Materials. IF: 5.3

​79. 2025-5 published on 2025-05-01

T. X. Nguyen, C.-H. Lee, J.-H. Sun, C.-K. Peng, W.-H. Chu, H. Pourzolfaghar, Y.-R. Lin, M. Ghufron, Y.-Y. Li, Y.-H. Chang, Y.-G. Lin, H.-Y. T. Chen, S.-W. Tseng, C.-Y. Su, J.-M. Ting. "Synergistic modulation of electronic structure in high entropy perovskite oxide for enhanced bifuntional oxygen evolution/reduction reactions and its mechanistic insights via in-situ analyses and density functional theory calculation." Chemical Engineering Journal. IF: 13.2

​78. 2025-4 published on 2025-04-15

J.-W. Kang, H.-C. Cheng, H.-J. Chen, S.-C. Huang, C.-H. Lee, C.-L. Kuo, S.-Y. Yu, H.-L. Wu, C.-C. Lin, C.-H. Kuo, H.-H. Chang, C.-W. Hu, S.-C. Haw*, H.-Y. T. Chen*, and H.-Y. Chen*. "P2-Na0.61Ca0.03[Mg2/9Cu1/9Mn2/3]O2 as a High-Energy Oxygen Redox Cathode for Na-Ion Batteries: Investigation of Cu Substitution and Ca Doping to Enhance Cycling Stability." Advanced Functional Materials. IF: 19.0

​77. 2025-3 published on 2025-03-31

D.-J. Jhan, K.-Y. Hsiao, R. Sarkar, J.-W. Lu, Y.-L. Chen, H.-Y. T. Chen, P. Y. Keng, S.-Y. Chang, M.-Y. Lu. "The Role of Polycrystalline MoS2 as Diffusion Barrier in Ru Interconnects: Thermal Stability and Electrical Performances." ACS Applied Materials & Interfaces. IF: 8.2

​76. 2025-2 published on 2025-03-25

C.-H. Yeh, H. V. Thang, Y. I. A. Reyes, C. Coluccini*, H.-Y. T. Chen*. "DFT Insights into Hydrogen Spillover Mechanisms: Effects of Metal Species, Size and Support." J. Phys. Chem. C. IF: 3.2

​75. 2025-1 published on 2025-02-21

H.-Y. Chen, H.-Y. T. Chen*, C.-N. Liao*. "Mechanistic understanding of self-limiting oxidation behavior of copper nanowires with dense twin boundaries" Applied Surface Science. IF：6.9

2024

2024 (12 articles)

​74. 2024-12 published on 2024-12-19

​Y.-C. Hsiao, C.-Y. Wu, C.-H. Lee, W.-Y. Huang, H. V. Thang, C.-C. Chi, W.-J. Zeng, J.-Q. Gao, C.-Y. Lin, J.-T. Lin, A. M. Gardner, H. Jang, R.-H. Juang, Y.-H. Liu, I. M. A. Mekhemer, M.-Y. Lu, Y.-R. Lu, H.-H. Chou, C.-H. Kuo, S. Zhou, L.-C. Hsu*, H.-Y. T. Chen*, A. J. Cowan*, S.-F. Hung*, J.-W. Yeh*, T.-H. Yang*

"A Library of Seed@High-Entropy-Alloy Core-Shell Nanocrystals with Contorlled Facets for Catalysis". Advanced Materials. (2024) IF：26.8​

73. 2024-11 published on 2024-11-19

H.-Y. Chen, S.-Y. Chen*, Y. I. A. Reyes, M. Keller, T. Mochizuki, C.-N. Liao, and H.-Y. T. Chen*. "Promotion effects in ammonia synthesis over ruthenium catalysts: a review". EnergyChem. (2024) IF：14.9

72. 2024-10 published on 2024-10-15

Y.-C. Ting, C.-C. Cheng, F.-Y. Yen, G.-R. Li, S.-I Chang, C.-H. Lee, H.-Y. T. Chen*, and S.-Y. Lu*. 

"Highly asymmetrically configured single atoms anchored on flame-roasting deposited carbon black as cathode catalysts for ultrahigh power density Zn-air batteries" EnergyChem. (2024) IF：14.9

71. 2024-9 published on 2024-7-11

Chen, Y.-C., A. Sihag, R. Sarkar, T.-Y. Chen, M. S. Dyer, F.-G. Tseng and H.-Y. T. Chen*. "Hydrogen adsorption, migration and desorption on amorphous carbon: A DFT and AIMD study." Materials Chemistry and Physics 325: 129711.(2024) IF：4.7

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70. 2024-8 published on 2024-07-02

C.-C. Cheng, Y.-C. Ting, F.-Y. Yen, G.-R. Li, C.-H. Lee, K.-A. Lee, S.-I Chang, H.-Y. T. Chen* and S.-Y. Lu*. "Synergistic Mo and W single atoms co-doped surface hydroxylated NiFe oxide as bifunctional electrocatalysts for overall water splitting." Applied Catalysis B: Environment and Energy 358: 124356. (2024) IF：21.1

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69. 2024-7 published on 2024-06-03

B. Papnai, D.-R. Chen, R. Ghosh, Z.-L. Yen, Y.-X. Chen, K. U. Rehman, H.-Y. T. Chen, Y.-P. Hsieh, and M. Hofmann*. "Harnessing Quantum Capacitance in 2D Material/Molecular Layer Junctions for Novel Electronic Device Functionality." Nanomaterials. 14.11 (2024): 972. IF = 4.3

68. 2024-6 published on 2024-04-29

F.-G. Tseng, D. Bhalothia, K.-H. Lo, C.-H. Syu, Y.-C. Chen, A. Sihag, C.-W. Wang, H.-Y. T. Chen* and T.-Y. Chen*. "Glucose-based highly-porous activated carbon nanospheres (g-ACNSs) for high capacity hydrogen storage." Energy Advances. (2024) IF：4.3

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67. 2024-5 published on 2024-04-29

C. He, C.-H. Lee, L. Meng, H.-Y. T. Chen*, Z. Li*. "Selective orbital coupling: an adsorption mechanism in single atom catalysis." Journal of the American Chemical Society. (2024) IF:15.6

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66. 2024-4 published on 2024-04-16

S. Zhang, C. Zhao, Y. I. A. Reyes, P. Xiong, T. Chen, T. Cheng, X. Yi, S.-W. Chou, C.-Y. Chien, Y.-Y. Yang, J. L. Chen, T. W. B. Lo, M. M.-J. Li, H.-Y. T. Chen*, A. Zheng and Y.-K. Peng*. "Facile Gram-Scale Synthesis of Size-Tunable MgO Nanosheets Enclosed by (111) Surface with Remarkable Stability and Uniform Host Sites for Atom Dispersion." Chemistry of Materials. (2024) IF：7.0

65. 2024-3 published on 2024-02-20

Y.-C. Ting, C.-C. Cheng, S.-H. Lin, T.-Y. Lin, P.-W. Chen, F.-Y. Yen, S.-I Chang, C.-H. Lee, H.-Y. T. Chen* and S.-Y. Lu*. "Synergistic Fe and Co binary single atoms based air cathodes for high performance and ultra-stable Zn-air batteries." Energy Storage Materials. (2024). 67: 103286. IF：20.2

64. 2024-2 published on 2024-01-29

W. Xuan, Y.-H. Liu, S.-Y. Chen, M. S. Dyer, H.-Y. T. Chen*. "Unveiling the Morphology of Carbon Supported Ru Nanoparticles by Multiscale Modeling." Nano Letters. (2024). IF：9.1

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63. 2024-1 published on 2024-01-11

S.-Y Chen*, L.-Y. Wang, K.-C. Chen, C.-H. Yeh, W.-C. Hsiao, H.-Y. Chen, M. Nishi, M. Keller, C.-L. Chang, C.-N. Liao, T. Mochizuki, H.-Y. T. Chen*, H.-H. Chou* and C.-M. Yang* . "Ammonia synthesis over cesium-promoted mesoporous-carbon-supported ruthenium catalysts: impact of graphitization degree of the carbon support." Applied Catalysis B-Environment and Energy. (2024). 123725. IF：21.1

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2023

2023 (9 articles)

62. 2023-9 published on 2023-09-22
A. Sihag, Y. I. A. Reyes, Y.-C. Lin, M. S. Dyer, H.-Y. T. Chen*. "How do defects affect hydrogen spillover on graphene-supported Pt? A DFT study." Materials Today Sustainability. (2023). IF：7.8

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61. 2023-8 published on 2023-06-29
S. Biswas, K. Brinkert, R. A. Catlow, H.-Y. T. Chen, et al. "Electrocatalytic and photocatalytic routes to N2 activation: general discussion." Faraday Discussions. (2023).243: 402-428. IF：3.4

60. 2023-7 published on 2023-06-26
F. A. Ghaida, K. Brinkert, Y. Cai, C. R. A. Catlow, H.-Y. T. Chen, et al. "Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion." Faraday Discussions. (2023).243: 198-230. IF：4.394

59. 2023-6 published on 2023-05-03
L.-J. Yang, W. Xuan, D. Webster, L.-K. Jagadamma, T. Li, D. N. Miller, D. B. Cordes, A. M. Z. Slawin, G. A. Turnbull, I. D. W. Samuel, H.-Y. T. Chen, P. Lightfoot, M. S. Dyer, and J. L. Payne*. "Manipulation of the Structure and Optoelectronic Properties through Bromine Inclusion in a Layered Bromide Perovskite." Chemistry of Materials. (2023).35(10): 3801-3814. IF：10.508

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58. 2023-5 published on 2023-04-16
T. X. Nguyen, J. Patra, C.-C. Tsai, W.-Y. Xuan, H.-Y. T. Chen, M. S. Dyer, O. Clemens, J. Li, S. Basu M., J.-K.Chang,* and J.-M.Ting*. "Secondary-Phase-Induced Charge–Discharge Performance Enhancement of Co-Free High Entropy Spinel Oxide Electrodes for Li-Ion Batteries." Adv. Funct.(2023).33(30): 2300509. IF：19.924

2022

2022 (9 articles)

52. 2022-8 accepted on 2022-11-03, published on 2022-11-07
W.-L. Weng, H.-Y. Chen, Y.-H. Ting, H.-Y. T. Chen, W.-W. Wu, K.-N. Tu, C.-N. Liao* . "Twin-boundary Reduced Surface Diffusion on Electrically Stressed Copper Nanowires.", Nano Letters. (2022), 22(22): 9071-9076. IF : 12.26

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51. 2022-7 accepted on 2022-07-01, published on 2022-07-07  
L.-Y. Ting, Y.-I. A. Reyes, B.-H. Li, M.-H. Elsayed, J. C.-W. Chan, J. Jayakumar, C.-L. Chang, W.-C. Lin, Y.-J. Lu, C. Coluccini, H.-Y. T. Chen*, and H.-H. Chou*, "Mechanistic Understanding of Visible-Light-Driven Hydrogen Evolution on Pt Sites in Organic Nanohybrids Enhanced with Hydroxyl Additives.", ACS Applied Energy Materials. (2022), 5(7): 7950-7955. IF: 6.96

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50. 2022-6 accepted on 2022-06-22, published on 2022-06-25   
C.-C. Lin, H.-Y. Liu, J.-W. Kang, C.-C. Yang, C.-H. Li, H.-Y. T. Chen, S.-C. Huang, C.-S. Ni, Y.-C. Chuang, B.-H. Chen, C.-K. Chang, H.-Y. Chen*, "In-situ X ray Studies of High-Entropy Layered Oxide Cathode for Sodium-Ion Batteries.", Energy Storage Mater, 157-159, (2022).51: 159-171. IF : 17.79

49. 2022-5 accepted on 2022-02-28, published on 2022-03-10

S.-Y. Chen*, C.-L. Chang, M. Nishi, W.-C. Hsiao, Y. I. A. Reyes, H. Tateno, H.-H. Chou*, C.-M. Yang*, H.-Y. T. Chen*, T. Mochizuki, H. Takagi & T. Nanba, "Unraveling the active sites of Cs-promoted Ru/γ-Al2O3 catalysts for ammonia synthesis.", Appl. Catal. B-Environ, 310, 121269 (2022). IF : 19.5

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48. 2022-4 accepted on 2022-01-22, published on 2022-02-06   

N.-H. Ting, T.-X. Nguyen, C.-H. Lee, Y.-C. Chen, C.-H. Yeh, H.-Y. T. Chen, J.-M. Ting*. "Composition-conrolled high entropy metal glycerate as high-performance electrocatalyst for oxygen evolution reaction.", Appl. Mater. Today, 27, 101398 (2022). IF : 10.04 

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47. 2022-3 accepted on 2022-02-21, published on 2022-03-21   

V.-T. Ho & H.-Y. T. Chen*, "Do Stoichiometric or Nonstoichiometric Models of a Polar Surface Affect Their Structural, Energetic and Electronic Structure Properties? A DFT Case Study of Ru/MgO (111).", J. Phys. Condens. Matter, 34(21), 214007 (2022). IF : 2.33

46. 2022-2 published on 2022-02-01   

J. Patra, T.-X. Nguyen, C.-C. Tsai, O. Clemens, J. Li, P. Pal, W.-K. Chan, C.-H. Lee, H.-Y. T. Chen, J.-M. Ting* & J.-K. Chang*, "Effects of Elemental Modulation on Phase Purity and Electrochemical Properties of Co-free High-Entropy Spinel Oxide Anodes for Lithium-Ion Batteries.", Adv. Funct. Mater. (2022), 32, 2110992 (2022). IF : 18.81 

45. 2022-1 accepted on 2022-01-10, published on 2022-01-14   

T.-J. Yen, A. Chin*, W.-K. Chan, H.-Y. T. Chen & V. Gritsenko, "Remarkably High-Performance Nanosheet GeSn Thin-Film Transistor.", Nanomaterials, 12(2), 261 (2022). IF : 5.076 

53. 2022-9 accepted on 2022-10-26, published on 2022-11-08
T.-Y. Chen, H. V. Thang, T.-Y. Yi, S.-C. Huang, C.-C. Lin, Y.-M. Chang, P.-L. Chen, M.-H. Lin, J.-F. Lee, H.-Y. T. Chen*, C.-C. Hu*, H.-Y. Chen*. "Operando X-ray Studies of Ni-containing Heteropolyvanadate Electrode for High-energy Lithium-ion Storage Applications.", ACS Applied Materials & Interfaces (2022), 14(46): 52035-52045. IF :10.38

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2021

2021(6 articles)

44. 2021-6 published on 2021-11-25  

J. Zhang, T.-S. Wu, H.-V. Thang, K.-Y. Tseng, X. Hao,* B. Xu, H.-Y. T. Chen,* and Y.-K. Peng, "Cluster Nanozymes with Optimized Reactivity and Utilization of Active Sites for Effective Peroxidase (and Oxidase) Mimicking.", Small, 18(5), 2104844 (2022). IF : 13.281

43. 2021-5 published on 2021-10-21   

L.-C. Lin, Y.-S. Cheng, C.-H. Kuo, Y.-C. Chen, W.-C. Liao, L.-Y. Chueh, S.-C. Ye, H.-Y. Chen, H.-Y. T. Chen & Y.-T. Pan*, "Armoring Pt/C Catalyst with Fine Atomic Scale Tungsten Species to Increase Tolerance Against Thermal and Fuel Cell Stresses.", ACS Appl. Energy Mater, 4(11), 12448-12457 (2021). IF : 6.024

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42. 2021-4 published on 2021-08-10

S. Najman, H.-A. Chen, H.-Y. T. Chen & C.-W. Pao*, "Structural and Electronic Properties of Intertwined Defect in Ruddlesden–Popper 2D Perovskites Study Using Density Functional Theory Calculations.", Multiscale Sci. Eng, 3:205–215 (2021). IF :1.93

41. 2021-3 published on 2021-05-28
S. Wu, K.-Y. Tseng, R. Kato, T.-S. Wu, A. Large, Y.-K. Peng, W. Xiang, H. Fang, J. Mo, I. Wilkinson, Y.-L. Soo, G. Held, K. Suenaga, T. Li, H.-Y. T. Chen* & S.-C. E. Tsang*, "Rapid Interchangeable Hydrogen, Hydride and Proton Species at the Interface of Transition Metal Atom on Oxide Surface.", J. Am. Chem. Soc, 143(24), 9105-9112 (2021). IF : 14.612
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40. 2021-2 published on 2021-04

A. Sihag, H.-Y. T. Chen*. DFT Study of Hydrogen Activation and Carbon Monoxide Oxidation on NiO2, Pd, NiO2/Pd and Pd/NiO2 Surfaces Bulletin of Taiwan Ceramic Society (invited, 2021).

39. 2021-1 published on 2021-03-30

T.-C. Chang, Y.-T. Lu, C.-H. Li, J. Gupta, L. Hardwick, C.-C. Hu & H.-Y. T. Chen*, "The Effect of Degrees of Inversion on the Electronic Structure of Spinel NiCo2O4: A DFT Study.", ACS Omega, 6(14), 9692–9699 (2021). IF : 2.870

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2020
2019
2018
2017
2016
2015
2014

2020 (6 articles)

38. 2020-6 published on 2020-11-20

C. Coluccini*, Y.-M. Ng, Y. I. A. Reyes, H.-Y T. Chen & Y.-L. Khung*, "Functionalization of Polyethyleneimine with Hollow Cyclotriveratrylene and Its Subsequent Supramolecular Interaction with Doxorubicin.", Molecules, 25(22), 5455 (2020). IF : 3.267

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37. 2020-5 published on 2020-10-16

T.-Y. Chen, S.-Y. Wang, C.-H. Kuo, S.-C. Huang, M.-S. Lin, C.-H. Li, H.-Y. T. Chen, C.-C. Wang, Y.-F. Liao, C.-C. Lin, Y.-M. Chang, J.-W. Yeh, S.-J. Lin, T.-Y. Chen & H.-Y. Chen*, "In Operando Synchrotron X-ray Studies of a Novel Spinel (Ni0.2Co0.2Mn0.2Fe0.2Ti0.2)3O4 High-Entropy Oxide for Energy Storage Applications.", J. Mater. Chem. A, 8, 21756–21770 (2020). IF : 11.301

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36. 2020-4 published on 2020-10-09

Y. I. A. Reyes, L.-Y. Ting, X. Tu, H.-Y. T. Chen*, H.-H. Chou* & C Coluccini*, "Mechanistic studies of hydrogen evolution reaction on donor-acceptor conjugated polymer photocatalysts.", Appl. Sci., 10(20), 7017 (2020). IF : 2.474

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35. 2020-3 published on 2020-10-01

S. Najman, H.-A. Chen, H.-Y. T. Chen & C.-W. Pao*, "Surface structures and equilibrium shapes of layered 2D Ruddlesden-Popper perovskite crystals from density functional theory calculations.", Mater. Today Commun., 26, 101745 (2020). IF : 2.678

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34. 2020-2 published on 2020-05-17

W.-S. Liu, M.-W. Liao, S.-H. Huang, Y. I Reyes, H.-Y. T. Chen & T.-P. Perng*, "Formation and characterization of gray Ta2O5 and its enhanced photocatalytic hydrogen generation activity.", Int. J. Hydrog. Energy, 45(33), 16560–16568 (2020). IF : 4.939

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33. 2020-1 published on 2020-01-03

Z. Li*, H.-Y. T. Chen, K. Schouteden, T. Picot, T.-W. Liao, A. Seliverstov, C. V. Haesendonck, G. Pacchioni, E. Janssens & P. Lievens, "Unraveling the atomic structure, ripening behavior, and electronic structure of supported Au20 clusters.", Sci. Adv., 6(1), eaay4289 (2020). IF : 13.120

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​2019 (5 articles)

31. 2019-4 published on 2019-10-01

Y.-T. Lu, J. Wu, T.-H. You, Z.-X. Lin, S.-C. Lin, H.-Y. T. Chen, L. J. Hardwick* & C.-C. Hu*, "Enhanced Oxygen Evolution Performance of Spinel Fe0.1Ni0.9Co2O4/Activated Carbon Composites.",  Electrochim. Acta, 326(5), 134986 (2019). IF : 6.215

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30. 2019-3 published on 2019-09-04

C. Coluccini, P. Anusha, H.-Y. T. Chen, S.-L. Liao, Y.-K. Ko, A. Yabushita, C.-W. Luo, Y. Mooi Ng & Y.-L. Khung*, "Tuning of the Electro-Optical Properties of Tetraphenylcyclopentadienone via Substitution of Oxygen with Sterically-Hindered Electron Withdrawing Groups.", Sci. Rep. , 9, 12762 (2019). IF : 3.998

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29. 2019-2 published on 2019-07-01

Z. Li*, S. Li, H.-Y. T. Chen, N. Gao, K. Schouteden, X.Qiang, J. Zhao*, S. Brems, C. Huyghebaert & C. Von Haesendonck. "Strongly Hole-Doped and Highly Decoupled Graphene on Platinum by Water Intercalation." J. Phys. Chem. Lett. 10(14), 3998–4002 (2019). IF : 6.710

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28. 2019-1 published on 2019-02-09

W.-C. Wu, H.-Y. T. Chen, S.-C. Lin, H.-Y. Chen, F.-R. Chen, H.-T. Chang* & F.-G. Tseng*. "Nitrogen-Doped Carbon Nanodots Prepared from Polyethylenimine for Fluorometric Determination of Salivary Uric Acid." Mikrochim. Acta. 186(3), Article: 166 (2019). IF : 6.232

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​2018 (2 articles)

27. 2018-2 published on 2018-12-15

Y. Zhuang, J.-P. Chou, H.-Y. T. Chen, Y.-Y. Hsu, C.-W. Hu, A. Hu* & T.-Y. Chen*. "Atomic scale Pt decoration promises oxygen reduction properties of Co@Pd nanocatalysts in alkaline electrolyte for 310k redox cycles." Sustain. Energy Fuels 2, 946–957 (2018). IF：5.503

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26. 2018-1 published on 2018-08-29

Y. Zhuang, J.-P. Chou, P.-Y. Liu, T.-Y. Chen, J.-J. Kai, A. Hu* & H.-Y. T. Chen*. "Pt3 clusters-decorated Co@Pd and Ni@Pd model core–shell catalyst design for the oxygen reduction reaction: a DFT study." J. Mater. Chem. A 6, 23326–23335 (2018). IF：11.301 (back cover)

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​2017 (4 articles)

25. 2017-4 published on 2017-11-27

S. Tosoni, H.-Y. T. Chen, A. R. Puigdollers & G. Pacchioni*. "TiO2 and ZrO2 in biomass conversion: why catalyst reduction helps." Phil. Trans. R. Soc. A 376(2110), 20170056 (2017). IF：3.275

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24. 2017-3 published on 2017-06-07

P. Schlexer, H.-Y. T. Chen & G. Pacchioni*. "CO2 Activation and Hydrogenation: A Comparative DFT Study of Ru10/TiO2 and Cu10/TiO2 Model Catalysts." Catal. Lett. 147(8), 1871–1881 (2017). IF：2.482

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23. 2017-2 published on 2017-05-02

H.-Y. T. Chen, J.-P. Chou, C.-Y. Lin, C.-W. Hu, Y.-T. Yang & T.-Y. Chen*. "Heterogeneous Cu–Pd binary interface boosts stability and mass activity of atomic Pt clusters in the oxygen reduction reaction." Nanoscale 9(11), 7207–7216 (2017). IF：6.895

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22. 2017-1published on 2017-03-24

Z. Li*, H.-Y. T. Chen, K. Schouteden, P. Thomas, A. Hillion, G. Pacchioni, C. Van Haesendonck, E. Janssens & P. Lievens. "Size-dependent dissociation of small cobalt clusters on ultrathin NaCl films." Nano Res. 10(5), 1832–1839 (2017). IF：8.183

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​2016 (4 articles)

21. 2016-4 published on 2016-06-28

H.-Y. T. Chen & G. Pacchioni*. "Role of Oxide Reducibility in the Deoxygenation of Phenol on Ruthenium Clusters Supported on the Anatase Titania (101) Surface." Chem. Cat. Chem. 8(15), 2492–2499 (2016). IF：4.853

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20. 2016-3 published on 2016-04-13

Z. Li*, H.-Y. T. Chen, K. Schouteden, P. Thomas, K. Houben, T.-W. Liao, C. Van Haesendonck, G. Pacchioni*, P. Lievens & E. Janssens*. "Size-Dependent Penetration of Gold Nanoclusters through a Defect-Free, Nonporous NaCl Membrane." Nano Lett. 16(5), 3063–3070 (2016). IF：11.238

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19. 2016-2 published on 2016-04-11

S. Tosoni*, H.-Y. T. Chen & G. Pacchioni. "A DFT study of Ni clusters deposition titania and zirconia (101) surfaces." Surf. Sci. 646, 230–238 (2016). IF：1.466

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18. 2016-1 published on 2016-02-17

H.-Y. T. Chen, S. Tosoni* & G. Pacchioni. "A DFT study of the acid-basic properties of anatase TiO2 and tetragonal ZrO2 by adsorption of CO and CO2 probe molecules." Surf. Sci. 652, 163–171 (2016). IF：1.466

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​2015 (7 articles)

17. 2015-7 published on 2015-12-18

Z. Li, H.-Y. T. Chen, K. Schouteden, E. Janssens, C. Van Haesendonck, P. Lievens* & G. Pacchioni*. "Spontaneous doping of two-dimensional NaCl films with Cr atoms: aggregation and electronic structure." Nanoscale 7, 2366–2373 (2015). IF：6.895

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16. 2015-6 published on 2015-11-25

H.-Y. T. Chen, S. Tosoni & G. Pacchioni*. "Adsorption of Ruthenium Atoms and Clusters on Anatase TiO2 and Tetragonal ZrO2(101) Surfaces: A Comparative DFT Study." J. Phys. Chem. C 119(20), 10856−10868 (2015). IF：4.189

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15. 2015-5 published on 2015-09-25

H.-Y. T. Chen, C. Wang, X. Wu, C. R. A. Catlow* & J. Xiao*. "Iridicycle‐Catalysed Imine Reduction: An Experimental and Computational Study of the Mechanism." Chem. Eur. J. 21(46), 16564–16577 (2015).

IF：4.857

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14. 2015-4 published on 2015-09-23

S. Tosoni*, H.-Y. T. Chen & G. Pacchioni. "A DFT study of the reactivity of anatase TiO2 and tetragonal ZrO2 stepped surfaces compared to the regular (101) terraces." Chem. Phys. Chem. 16(17), 3642–3651 (2015). IF：3.144

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13. 2015-3 published on 2015-09-23

H.-Y. T. Chen, S. Livraghi, E. Giamello & G. Pacchioni*. "Mechanism of the Cyclo‐Oligomerisation of C2H2 on Anatase TiO2 (101) and (001) Surfaces and Their Reduction: An Electron Paramagnetic Resonance and Density Functional Theory Study." Chem. Plus. Chem. 81(1), 64–72 (2015). IF：2.753

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12. 2015-2 published on 2015-07-31

H.-Y. T. Chen, S. Tosoni & G. Pacchioni*. "Hydrogen adsorption, dissociation, and spillover on Ru10 clusters supported on anatase TiO2 and tetragonal ZrO2 (101) surfaces." ACS Catal. 5(9), 5486–5495 (2015). IF：12.350

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11. 2015-1 published on 2015-03-13

Z. Li, H.-Y. T. Chen, K. Schouteden, K. Lauwaet, E. Janssens, C. Van Haesendonck, G. Pacchioni* & P. Lievens*. "Lateral Manipulation of Atomic Vacancies in Ultrathin Insulating Films." ACS Nano 9(5), 5318–5325 (2015). IF：14.588

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​2014 (3 articles)

10. 2014-3 published on 2014-08-28

H.-Y. T. Chen & G. Pacchioni*. "Properties of two-dimensional insulators: a DFT study of Co adsorption on NaCl and MgO ultrathin films." Phys. Chem. Chem. Phys. 16, 21838−21845 (2014). IF：3.430

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9. 2014-2 published on 2014-05-21

H.-Y. T. Chen, L. Giordano & G. Pacchioni*. "Adsorption Properties of Two-Dimensional NaCl: A Density Functional Theory Study of the Interaction of Co, Ag, and Au Atoms with NaCl/Au(111) Ultrathin Films." J. Phys. Chem. C 118(23), 12353−12363 (2014). IF：4.189

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8. 2014-1 published on 2014-01-16

Z. Li, H.-Y. T. Chen, K. Schouteden, K. Lauwaet, L. Giordano, M. I. Trioni, E. Janssens, V. Iancu, C. Van Haesendonck, P. Lievens* & G. Pacchioni*. "Self-Doping of Ultrathin Insulating Films by Transition Metal Atoms." Phys. Rev. Lett. 112, 026102 (2014). IF：8.385

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​2013 (2 articles)

7. 2013-2 published on 2013-09-20

C. Wang, H.-Y. T. Chen, J. Bacsa, C. R. A. Catlow & J. Xiao*. "Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides." Dalton Trans. 42, 935–940 (2013). IF：4.174

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6. 2013-1 published on 2013-04-26

H.-Y. T. Chen, L. Giordano & G. Pacchioni*. "From Heterolytic to Homolytic H2 Dissociation on Nanostructured MgO(001) Films As a Function of the Metal Support." J. Phys. Chem. C 117(20), 10623−10629 (2013). IF：4.189

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​2012 (1 article)

5. 2012-1 published on 2012-12-14

H.-Y. T. Chen*, D. Di Tommaso, G. Hogarth & C. R. A. Catlow. "The effects of ligand variation on enantioselective hydrogenation catalysed by RuH2(diphosphine)(diamine) complexes." Dalton Trans. 41, 1867–1877 (2012). IF：4.174

​2011 (2 articles)

4. 2011-2 published on 2011-11-23

H.-Y. T. Chen, D. Di Tommaso, G. Hogarth & C. R. A. Catlow. "trans-FeII(H)2(diphosphine)(diamine) complexes as alternative catalysts for the asymmetric hydrogenation of ketones? A DFT study." Dalton Trans. 40, 402–412 (2011) — hot article. IF：4.174

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3. 2011-1 published on 2011-10-04

H.-Y. T. Chen*, D. Di Tommaso, G. Hogarth & C. R. A. Catlow. "Correlating Enantioselectivity with Activation Energies in the Asymmetric Hydrogenation of Acetophenone Catalysed by Noyori-Type Complexes." Catal. Lett. 141(12), 1761–1766 (2011). IF：2.482

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2009 (1 article)

2. 2009-1 published on 2009-10-16

J. P. Chou, H.-Y. T. Chen, C. R. Hsing, C. M. Chang, C. Cheng & C. M. Wei*. "13-atom metallic clusters studied by density functional theory: Dependence on exchange-correlation approximations and pseudopotentials." Phys. Rev. B 80, 165412–165419 (2009). IF：3.575

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2007 (1 article)

1. 2007-1 published on 2007-06-02

H.-Y. T. Chen, W. C. J. Wei*, K. C. Hsu & C. S. Chen. "Adsorption of Polyacrylic Acid (PAA) on (0001) α-Al2O3 surface." J. Am. Ceram. Soc. 90(6), 1709–1716 (2007). IF：3.502

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Conferences

  • Conference Oral Presentation (detailed):

​

https://docs.google.com/document/d/e/2PACX-1vT5d9RDNW5t1SnRcPePvOqRvtZQALF8HL_k5OJFen0hzbBgHDg8uMDcalh_prFRstVu5SOVI6a-8J0O/pub

​

  • Conference List:

https://docs.google.com/document/d/e/2PACX-1vTgNYeDTSVrriLBgHoTgDoMm6Xr4kUUaenZ7bQ_yy5F5WvhEboNcfRQHZ6Aw-wIBlaHga9Bbm2Q-JOl/pub​

32. 2019-5 published on 2019-10-11

A. Sihag, Z.-L. Xie, V.-T. Ho, C.-L. Kuo, F.-G. Tseng, M. Dyer, Chen & H.-Y. T. Chen*, "DFT Insight Into Comparative Hydrogen Adsorption and Hydrogen Spillover Mechanisms of Pt4/Graphene and Pt4/Anatase (101) Surfaces.", J. Phys. Chem. C, 123(42), 25618–25627 (2019). IF : 4.189

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Conferences
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