Publication

2024

S. M. Peng, S. T. Chang, C. C. Chang, P. HN, C. C. Chang,* K. C. Wu, Y. H. Huang, Y. C. Chen, T. R. Kuo, C. W. Pao, J. L. Chen and D. Y. Wang* Boosted urea electrooxidation activity by dynamic steady blending CoOOH–Ni(OH)2 nanoclusters for H2 production in a pH-asymmetric electrolyzer. J. Mater. Chem. A, 2024, 12, 24126-24135 .
M. C. Hsieh, W. L. Liang, C. C. Chang,* M. K. Tsai* Transition Metal Chelation Effect in MOF-253 Materials: Guest Molecule Adsorption Dynamics and Proposed Formic Acid Synthesis Investigated by Atomistic Simulations. Molecules 2024, 29(13), 3211.
C. C. Liao, Y. Y. Huang, C. C. Chang,* Modulating the Catalytic Selectivity for Urea Production in CO2 and N2 Reduction Reaction through Cu19@Ru60 Core/Shell Nanoparticle: A DFT Study J. Phys. Chem. C 2024, 128, 12093–12100. (Front Cover)

2023

C. C. Liao, T. H. Tsai, C. C. Chang,* M. K. Tsai* A Computational Perspective on Carbon-Carbon Bond Formation by Single Cu Atom on Pd(111) Surface for CO Electrochemical Reduction. Inorganics 2023, 11, 378.
S. B. Patil,‡ C. R. Lee,‡ S. M. Gowdru,‡ C. C. Chang,* S. T. Chang, Y. C. Chen, K. C. Wu, C. C. Chang, S. C. Hawc and D. Y. Wang* Porifera-like nickel nanodendrite for the efficient electrosynthesis of C–N compounds from carbon dioxide and nitrate anions J. Mater. Chem. A, 2023, 11, 11495–11506.
C. C. Liao, T. H. Tsai, C. C. Chang,* M. K. Tsai* The use of plate-type electric force field for the explicit simulations of electrochemical CO dimerization on Cu(111) surface. Chem. Phys. 2023, 568, 111821.

2022

S. M. Peng, S. B. Patil, C. C. Chang, S. T. Chang, Y. C. Chen, K. C. Wu, W. N. Su,* B. J. Hwang* D. Y. Wang* Fast charge transfer between iodide ions and a delocalized electron system on the graphite surface for boosting hydrogen production. J. Mater. Chem. A, 2022, 10, 23982-23989.
S. M. Gowdru, C. H. Lin, C. C. Chang*, Y. C. Chen, Y. L. Kuo, C. C. Chang, S. B. Patil, C. W. Pao, J. L. Chen, C. R. Lee, C. K. Chang, Y. C. Chuang, H. S. Sheu, C. I. Yang*, and D. Y. Wang* Revealing the Structural Transformation between the Activity and Stability of 2D and 3D Co-Mo Metal-Organic Frameworks for a Highly Active Oxygen Evolution Reaction. ACS Sustainable Chem. Eng. 2022, 10, 12297–12306. (Front Cover)
Y. A. Lai, Y. C. Chu, C. J. Chang, K. H. Chen, Y. C. Hsiao, C. C. Chang*, M. Y. Liao*, H. M. Chen* Redox-Driven Cu-Pd Bond Formation to Enhance the Efficiency for Electroreduction of CO2 to CO. Adv. Energy Sustainability Res. 2022, 2200075(1-9).
C. C. Chang*, M. S. Ku, W. H. Lien, S. F. Hung, Unveiling the Bonding Nature of C3 Intermediates in the CO2 Reduction Reaction through the Oxygen-Deficient Cu2O(110) Surface─A DFT Study. J. Phys. Chem. C 2022, 126(12), 5502–5512. (Front Cover)

2021

C. C. Chang*, M. S. Ku, Role of High-Index Facet Cu(711) Surface in Controlling the C2 Selectivity for CO2 Reduction Reaction—A DFT Study, J. Phys. Chem. C 2021, 125(20), 10919–10925. (Front Cover)

2020

S. C. Lin,‡ C. C. Chang,‡ S. Y. Chiu, H. T. Pai, T. Y. Liao, C. S. Hsu, W. H. Chiang, M. K. Tsai,* H. M. Chen,* Operando time-resolved X-ray absorption spectroscopy reveals the chemical nature enabling highly selective CO2 reduction. Nat. Commun, 2020, 11, 352-1-12. ‡: Equal Contribution (Editor Highlight)
C. C. Chang,* C. Y. Liu, Y. C. Sun* Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study. Phys. Chem. Chem. Phys., 2020, 22, 4967-4973. (2020 PCCP Hot Article)
C. H. Huang, C. C. Chang, Elise Y. Li A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries. Phys. Chem. Chem. Phys., 2020, 22, 12389-12394. (Back Cover)
S. M. Jhan, H. L. Hsu, C. C. Chang,* and Elise Y. Li* Fischer–Tropsch Product Selectivity Modulation via an FeRh Nanocluster Composition Design. J. Phys. Chem. C 2020, 124(28), 15225–15230.

2019

C. C. Chang, S. R. Li, H. L. Chou, Y. C. Lee, S. Patil, Y. S. Lin, C. C. Chang, Y. J. Chang, D. Y. Wang. Nitrogen Reduction: Photoactive Earth‐Abundant Iron Pyrite Catalysts for Electrocatalytic Nitrogen Reduction Reaction. Small, 2019, 15(49), 1970265. (Front Cover)

2018

S. F. Hung,‡ Y. T. Chan,‡ C. C. Chang, M. K. Tsai,* Y. F. Liaoc, N. Hiraoka, C. S. Hsu, H. M. Chen* Identification of Stabilizing High-valent Active Sites by Operando High-energy Resolution Fluorescence-Detected X‑ray Absorption Spectroscopy for High-Efficiency Water Oxidation, J. Am. Chem. Soc, 2018, 140, 17263-17270. ‡: Equal Contribution
C. C. Chang, Elise Y. Li* and M. K. Tsai* A Computational Exploration of CO2 Reduction via CO Dimerization on Mixed-valence Copper Oxide Surface, Phys. Chem. Chem. Phys., 2018, 20, 16906-16909. (Front Cover)
S. F. Hung, Z. Z. Chen, C. C. Chang, C. S. Hsu, M. K. Tsai, C. C. Kang, H. M. Chen* Dual-Hole Excitons Activated Photoelectrolysis in Neutral Solution. Small, 2018, 14, 1704047.
C. C. Liao, C. C. Chang, Y.-M. Choi, M. K. Tsai* Ethane oxidative dehydrogenation mechanism on MoO3(010) surface: A first-principle study using on-site Coulomb correction. Surf. Sci., 2018, 674, 45-50.

2017

C. Y. Liu, C. C. Chang, J. J. Ho, Elise Y. Li*. First-Principles Study on CO Removing Mechanism on Pt-Decorated Oxygen-Rich Anode Surfaces (Pt2/o-MO2(110), M = Ru and Ir) in DMFC. J. Phys. Chem. C, 2017, 121, 9825-9832.
C. C. Chang, C. Y. Liu, S. Y. Wu and M. K. Tsai* Adsorption and dehydrogenation of ethane, propane and butane on Rh13 clusters supported on unzipped graphene oxide and TiO2(110) – a DFT study. Phys. Chem. Chem. Phys., 2017, 19, 4989-4996. (Back Cover and 2017 PCCP HOT Article)

2015

C. C. Chang and J. J. Ho*. Dissociation of CO2 on rhodium nanoclusters (Rh13) in various structures supported on unzipped graphene oxide – a DFT study. Phys. Chem. Chem. Phys., 2015, 17, 11028-11035.
C. C. Chen, C. H. Yeh, C. C. Chang, and J. J. Ho* Conversion of CO2 and C2H6 to Propanoic Acid on an Iridium Modified Graphene Oxide Surface: Quantum-Chemical Investigation. ‎Ind. Eng. Chem. Res , 2015, 54, 1539-1546.

2014

C. C. Chang, J. J. Ho* Catalytic Enhancement in Dissociation of Nitric Oxide Over Rhodium and Nickel Small-Size Clusters: A DFT study. Phys. Chem. Chem. Phys., 2014, 16, 5393-5398.

2013

C. C. Chang and J. J. Ho*. Theoretical study of selective hydrogenation in a mixture of acetylene and ethylene over Fe@W(111) bimetallic surfaces. Appl. Catal. A Gen., 2013, 462, 296-301.
W. J. Chen, C. H. Yeh, C. C. Chang and J. J. Ho* Energetics of C–N coupling reactions on Pt(111) and Ni(111) surfaces from application of density-functional theory. Phys. Chem. Chem. Phys., 2013, 15, 10395-10401.

2011

H. J. Li, C. C. Chang, and J. J. Ho* Density functional calculations to study the mechanism of the Fischer-Tropsch reaction on Fe(111) and W(111) surfaces. J. Phys. Chem. C, 2011, 115, 11045–11055.

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