Energy Materials Modelling Group
Department of Engineering and System Science (ESS),
National Tsing Hua University (NTHU), Taiwan
Publications
2024
68. accepted on 2024-04-12
Chen He, Chih-Heng Lee, Lei Meng, H.-Y. T. Chen*, Zhe Li*.Selective orbital coupling: an adsorption mechanism in single atom catalysis. Journal of the American Chemical Society. (2024) IF:15.0
67.published on 2024-04-16
Zhang, S., 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:8.6
Xuan, Wenye ; Liu, Yu-Hao ; Chen, Shin-Yuan ; Dyer, Matthew ; H.-Y. T. Chen* . Unveiling the Morphology of Carbon Supported Ru Nanoparticles by Multiscale Modelling. Nano Letters. (2024). IF:10.8
Chen, S.-Y*, L.-Y. Wang, K.-C. Chen, C.-H. Yeh, W.-C. Hsiao, H.-Y. T. 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: Environmental. (2024). 123725. IF:24.319
2023
63. published on 2023-09-22
Amita Sihag, Yves Ira A. Reyes,Yi-Cheng Lin, Matthew Stephen 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
2022
54. accepted on 2022-11-03
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
53. accepted on 2022-10-26
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
52. accepted on 2022-07-01
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
51. accepted on 2022-06-23
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
50. published on 2022-08-05
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
46. published on 2022-01-14
2021
45. 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. published on 2021-08-10
41. published on 2021
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).
40. published on 2021-03-30
2020
39. published on 2020-11-20
38. 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
37. published on 2020-10-09
36. published on 2020-10-01
35. published on 2020-05-17
34. 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
2019
33. published on 2019-12-05
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 with Superior Stability. Electrochim. Acta 326(5), 134986 (2019). IF : 6.215
2018
27. 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)
2017
26. published on 2017-11-27
25. published on 2017-06-07
24. 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
23. published on 2017-03-24
2016
22. published on 2016-06-28
21. 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
20. published on 2016-04-11
19. 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
2015
18. published on 2015-12-18
17. published on 2015-11-25
16. published on 2015-09-25
15. 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
13. published on 2015-07-31
12. 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
2014
11. 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
2013
8. published on 2013-09-20
7. published on 2013-09-11
6. published on 2013-04-26
2012
5. published on 2012-12-14
2011
2009
2. 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
2007
1. published on 2007-06-02
Conferences
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