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  • Mu-Jeng Cheng
2020

Application of Ceria in CO2 Conversion Catalysis

Chang, K., Zhang, H., Cheng, M. J. & Lu, Q., 2020 Jan 3, In : ACS Catalysis. 10, 1, p. 613-631 19 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Atomic-Scale Spacing between Copper Facets for the Electrochemical Reduction of Carbon Dioxide

Jeong, H. M., Kwon, Y., Won, J. H., Lum, Y., Cheng, M. J., Kim, K. H., Head-Gordon, M. & Kang, J. K., 2020 Mar 1, In : Advanced Energy Materials. 10, 10, 1903423.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Copper-catalyzed, chloroamide-directed benzylic C-H difluoromethylation

Zeng, X., Yan, W., Paeth, M., Zacate, S. B., Hong, P. H., Wang, Y., Yang, D., Yang, K., Yan, T., Song, C., Cao, Z., Cheng, M. J. & Liu, W., 2020 Jan 1, In : Journal of the American Chemical Society. 141, 50, p. 19941-19949 9 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Cyclization–[4+3] Annulation Cascades between 2-(1-Alkynyl)-2-alken-1-ones and Anthranils

Kardile, R. D., Chao, T. H., Cheng, M. J. & Liu, R. S., 2020 Jun 22, In : Angewandte Chemie - International Edition. 59, 26, p. 10396-10400 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Gold-Catalyzed Iminations of Terminal Propargyl Alcohols with Anthranils with Atypical Chemoselectivity for C(1)-Additions and 1,2-Carbon Migration

Skaria, M., More, S. A., Kuo, T. C., Cheng, M. J. & Liu, R. S., 2020 Mar 18, In : Chemistry - A European Journal. 26, 16, p. 3600-3608 9 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Gold-Catalyzed Oxidations of 1,3-Diynamides with C(1) versus C(3) Regioselectivity: Catalyst-Dependent Oxidative Cyclizations in the C(3) Oxidation

Skaria, M., Hsu, Y. C., Jiang, Y. T., Lu, M. Y., Kuo, T. C., Cheng, M. J. & Liu, R. S., 2020 Jun 5, In : Organic Letters. 22, 11, p. 4478-4482 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Hydroxide Is Not a Promoter of C2+ Product Formation in the Electrochemical Reduction of CO on Copper

Li, J., Wu, D., Malkani, A. S., Chang, X., Cheng, M. J., Xu, B. & Lu, Q., 2020 Mar 9, In : Angewandte Chemie - International Edition. 59, 11, p. 4464-4469 6 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Improving CO2 Electrochemical Reduction to CO Using Space Confinement between Gold or Silver Nanoparticles

Chang, K., Jian, X., Jeong, H. M., Kwon, Y., Lu, Q. & Cheng, M. J., 2020 Mar 5, In : Journal of Physical Chemistry Letters. 11, 5, p. 1896-1902 7 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Ligand-Based Reactivity of Oxygenation and Alkylation in Cobalt Complexes Binding with (Thiolato)phosphine Derivatives

Wu, Y. Y., Hong, J. C., Tsai, R. F., Pan, H. R., Huang, B. H., Chiang, Y. W., Lee, G. H., Cheng, M. J. & Hsu, H. F., 2020 Apr 6, In : Inorganic Chemistry. 59, 7, p. 4650-4660 11 p.

Research output: Contribution to journalArticle

Oxygen induced promotion of electrochemical reduction of CO2 via co-electrolysis

He, M., Li, C., Zhang, H., Chang, X., Chen, J. G., Goddard, W. A., Cheng, M. J., Xu, B. & Lu, Q., 2020 Dec 1, In : Nature communications. 11, 1, 3844.

Research output: Contribution to journalArticle

Open Access

Synthesis of Quinolinium Salts from N-Substituted Anilines, Aldehydes, Alkynes, and Acids: Theoretical Understanding of the Mechanism and Regioselectivity

Cheng, L. C., Chen, W. C., Santhoshkumar, R., Chao, T. H., Cheng, M. J. & Cheng, C. H., 2020 Apr 16, In : European Journal of Organic Chemistry. 2020, 14, p. 2116-2129 14 p.

Research output: Contribution to journalArticle

Tailoring the Electrochemical Production of H2O2: Strategies for the Rational Design of High-Performance Electrocatalysts

Zhang, J., Zhang, H., Cheng, M. J. & Lu, Q., 2020 Apr 1, In : Small. 16, 15, 1902845.

Research output: Contribution to journalReview article

8 Citations (Scopus)
2019

CO Electroreduction: Current Development and Understanding of Cu-Based Catalysts

Zhang, H., Li, J., Cheng, M. J. & Lu, Q., 2019 Jan 4, In : ACS Catalysis. 9, 1, p. 49-65 17 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane

Zhang, H., Chang, X., Chen, J. G., Goddard, W. A., Xu, B., Cheng, M. J. & Lu, Q., 2019 Dec 1, In : Nature communications. 10, 1, 3340.

Research output: Contribution to journalArticle

Open Access
9 Citations (Scopus)

Constant Electrode Potential Quantum Mechanical Study of CO2 Electrochemical Reduction Catalyzed by N-Doped Graphene

Chang, K., Zhang, H., Chen, J. G., Lu, Q. & Cheng, M. J., 2019 Sep 6, In : ACS Catalysis. 9, 9, p. 8197-8207 11 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Copper-Catalyzed Decarboxylative Difluoromethylation

Zeng, X., Yan, W., Zacate, S. B., Chao, T. H., Sun, X., Cao, Z., Bradford, K. G. E., Paeth, M., Tyndall, S. B., Yang, K., Kuo, T. C., Cheng, M. J. & Liu, W., 2019 Jul 24, In : Journal of the American Chemical Society. 141, 29, p. 11398-11403 6 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Csp3-Csp3 Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes

Paeth, M., Tyndall, S. B., Chen, L. Y., Hong, J. C., Carson, W. P., Liu, X., Sun, X., Liu, J., Yang, K., Hale, E. M., Tierney, D. L., Liu, B., Cao, Z., Cheng, M. J., Goddard, W. A. & Liu, W., 2019 Feb 20, In : Journal of the American Chemical Society. 141, 7, p. 3153-3159 7 p.

Research output: Contribution to journalArticle

22 Citations (Scopus)

Effectively Increased Efficiency for Electroreduction of Carbon Monoxide Using Supported Polycrystalline Copper Powder Electrocatalysts

Li, J., Chang, K., Zhang, H., He, M., Goddard, W. A., Chen, J. G., Cheng, M. J. & Lu, Q., 2019 Jun 7, In : ACS Catalysis. 9, 6, p. 4709-4718 10 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Exciplex Organic Light-Emitting Diodes with Nearly 20% External Quantum Efficiency: Effect of Intermolecular Steric Hindrance between the Donor and Acceptor Pair

Wu, T. L., Liao, S. Y., Huang, P. Y., Hong, Z. S., Huang, M. P., Lin, C. C., Cheng, M. J. & Cheng, C. H., 2019 Jan 1, In : ACS Applied Materials and Interfaces.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Gold-catalyzed (4+3)-annulations of 2-alkenyl-1-alkynylbenzenes with anthranils with alkyne-dependent chemoselectivity: Skeletal rearrangement: Versus non-rearrangement

Singh, R. R., Skaria, M., Chen, L. Y., Cheng, M. J. & Liu, R. S., 2019, In : Chemical Science. 10, 4, p. 1201-1206 6 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)

Gold-catalyzed bicyclic annulations of 4-methoxy-1,2-dienyl-5-ynes with isoxazoles to form indolizine derivatives: Via an Au-π-allene intermediate

Kulandai Raj, A. S., Tan, K. C., Chen, L. Y., Cheng, M. J. & Liu, R. S., 2019, In : Chemical Science. 10, 26, p. 6437-6442 6 p.

Research output: Contribution to journalArticle

Open Access
10 Citations (Scopus)

Gold-Catalyzed Oxidation of Thioalkynes to Form Phenylthio Ketene Derivatives via a Noncarbene Route

Sharma, P., Singh, R. R., Giri, S. S., Chen, L. Y., Cheng, M. J. & Liu, R. S., 2019 Jul 5, In : Organic Letters. 21, 14, p. 5475-5479 5 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Mechanism and kinetics for both thermal and electrochemical reduction of N2 catalysed by Ru(0001) based on quantum mechanics

Chen, L. Y., Kuo, T. C., Hong, Z. S., Cheng, M. J. & Goddard, W. A., 2019, In : Physical Chemistry Chemical Physics. 21, 32, p. 17605-17612 8 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Quantum Mechanical Screening of Metal-N4-Functionalized Graphenes for Electrochemical Anodic Oxidation of Light Alkanes to Oxygenates

Luo, J. H., Hong, Z. S., Chao, T. H. & Cheng, M. J., 2019 Aug 8, In : Journal of Physical Chemistry C. 123, 31, p. 19033-19044 12 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2018

5,14-Diaryldiindeno[2,1- f:1′,2′ -j]picene: A New Stable [7]Helicene with a Partial Biradical Character

Hsieh, Y. C., Wu, C. F., Chen, Y. T., Fang, C. T., Wang, C. S., Li, C. H., Chen, L. Y., Cheng, M-J., Chueh, C. C., Chou, P. T. & Wu, Y-T., 2018 Jan 1, (Accepted/In press) In : Journal of the American Chemical Society.

Research output: Contribution to journalArticle

18 Citations (Scopus)

Activation of O−H and C−O Bonds in Water and Methanol by a Vanadium-Bound Thiyl Radical

Yan, J. A., Yang, Z. K., Chen, Y. S., Chang, Y. H., Lyu, C. L., Luo, C. G., Cheng, M. J. & Hsu, H. F., 2018 Oct 12, In : Chemistry - A European Journal. 24, 57, p. 15190-15194 5 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Copper-Mediated Trifluoromethylation of Benzylic Csp3−H Bonds

Paeth, M., Carson, W., Luo, J. H., Tierney, D., Cao, Z., Cheng, M. J. & Liu, W., 2018 Aug 9, In : Chemistry - A European Journal. 24, 45, p. 11559-11563 5 p.

Research output: Contribution to journalArticle

33 Citations (Scopus)

Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N5)2(H2O)4]·4H2O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials

Luo, J. H., Chen, L. Y., Nguyen, D. N., Guo, D., An, Q. & Cheng, M. J., 2018 Sep 20, In : Journal of Physical Chemistry C. 122, 37, p. 21192-21201 10 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
14 Citations (Scopus)

The importance of grand-canonical quantum mechanical methods to describe the effect of electrode potential on the stability of intermediates involved in both electrochemical CO2 reduction and hydrogen evolution†

Zhang, H., Goddard, W. A., Lu, Q. & Cheng, M. J., 2018, Computational Molecular Science and Engineering Forum 2018 - Core Programming Area at the 2018 AIChE Annual Meeting. AIChE, p. 200-208 9 p. (Computational Molecular Science and Engineering Forum 2018 - Core Programming Area at the 2018 AIChE Annual Meeting).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Open Access

Tuning Gold Nanoparticles with Chelating Ligands for Highly Efficient Electrocatalytic CO2 Reduction

Cao, Z., Zacate, S. B., Sun, X., Liu, J., Hale, E. M., Carson, W. P., Tyndall, S. B., Xu, J., Liu, X., Liu, X., Song, C., Luo, J. H., Cheng, M. J., Wen, X. & Liu, W., 2018 Sep 24, In : Angewandte Chemie - International Edition. 57, 39, p. 12675-12679 5 p.

Research output: Contribution to journalArticle

37 Citations (Scopus)
2017

Computational Design of a Pincer Phosphinito Vanadium ((OPO)V) Propane Monoxygenation Homogeneous Catalyst Based on the Reduction-Coupled Oxo Activation (ROA) Mechanism

Fu, R., Goddard, W. A., Cheng, M. J. & Nielsen, R. J., 2017 Jan 6, In : ACS Catalysis. 7, 1, p. 356-364 9 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Dual-Phase Mechanism for the Catalytic Conversion of n-Butane to Maleic Anhydride by the Vanadyl Pyrophosphate Heterogeneous Catalyst

O'Leary, W. C., Goddard, W. A. & Cheng, M. J., 2017 Nov 2, In : Journal of Physical Chemistry C. 121, 43, p. 24069-24076 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Experimental and Theoretical Studies on Iron-Promoted Oxidative Annulation of Arylglyoxal with Alkyne: Unusual Addition and Migration on the Aryl Ring

Hung, C. H., Gandeepan, P., Cheng, L. C., Chen, L. Y., Cheng, M. J. & Cheng, C. H., 2017 Nov 29, In : Journal of the American Chemical Society. 139, 47, p. 17015-17021 7 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)
5 Citations (Scopus)

Probing the C-O Bond-Formation Step in Metalloporphyrin-Catalyzed C-H Oxygenation Reactions

Liu, W., Cheng, M. J., Nielsen, R. J., Goddard, W. A. & Groves, J. T., 2017 Jun 2, In : ACS Catalysis. 7, 6, p. 4182-4188 7 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)

Quantum Mechanical Study of N-Heterocyclic Carbene Adsorption on Au Surfaces

Chang, K., Chen, J. G., Lu, Q. & Cheng, M. J., 2017 Apr 6, In : Journal of Physical Chemistry A. 121, 13, p. 2674-2682 9 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)
2016

Experimental and Computational Evidence of Highly Active Fe Impurity Sites on the Surface of Oxidized Au for the Electrocatalytic Oxidation of Water in Basic Media

Klaus, S., Trotochaud, L., Cheng, M. J., Head-Gordon, M. & Bell, A. T., 2016 Jan 1, In : ChemElectroChem. 3, 1, p. 66-73 8 p.

Research output: Contribution to journalArticle

27 Citations (Scopus)

Quantum Mechanical Screening of Single-Atom Bimetallic Alloys for the Selective Reduction of CO2 to C1 Hydrocarbons

Cheng, M. J., Clark, E. L., Pham, H. H., Bell, A. T. & Head-Gordon, M., 2016 Nov 4, In : ACS Catalysis. 6, 11, p. 7769-7777 9 p.

Research output: Contribution to journalArticle

81 Citations (Scopus)

Surface Proton Hopping and Fast-Kinetics Pathway of Water Oxidation on Co3O4 (001) Surface

Pham, H. H., Cheng, M. J., Frei, H. & Wang, L. W., 2016 Aug 5, In : ACS Catalysis. 6, 8, p. 5610-5617 8 p.

Research output: Contribution to journalArticle

35 Citations (Scopus)

The Mechanism of Alkane Selective Oxidation by the M1 Phase of Mo–V–Nb–Te Mixed Metal Oxides: Suggestions for Improved Catalysts

Cheng, M. J. & Goddard, W. A., 2016 Oct 1, In : Topics in Catalysis. 59, 17-18, p. 1506-1517 12 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)
3 Citations (Scopus)
2015

Identification of highly active Fe sites in (Ni,Fe)OOH for electrocatalytic water splitting

Friebel, D., Louie, M. W., Bajdich, M., Sanwald, K. E., Cai, Y., Wise, A. M., Cheng, M. J., Sokaras, D., Weng, T. C., Alonso-Mori, R., Davis, R. C., Bargar, J. R., Nørskov, J. K., Nilsson, A. & Bell, A. T., 2015 Jan 28, In : Journal of the American Chemical Society. 137, 3, p. 1305-1313 9 p.

Research output: Contribution to journalArticle

1014 Citations (Scopus)
32 Citations (Scopus)

Tailoring Metal-Porphyrin-Like Active Sites on Graphene to Improve the Efficiency and Selectivity of Electrochemical CO2 Reduction

Cheng, M. J., Kwon, Y., Head-Gordon, M. & Bell, A. T., 2015 Sep 17, In : Journal of Physical Chemistry C. 119, 37, p. 21345-21352 8 p.

Research output: Contribution to journalArticle

50 Citations (Scopus)
2014

A homolytic oxy-functionalization mechanism: intermolecular hydrocarbyl migration from M-R to vanadate oxo

Cheng, M. J., Nielsen, R. J. & Goddard, W. A., 2014 Aug 21, In : Chemical Communications. 50, 75, p. 10994-10996 3 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

CCl radicals as a carbon source for diamond thin film deposition

An, Q., Cheng, M. J., Goddard, W. A. & Jaramillo-Botero, A., 2014 Feb 6, In : Journal of Physical Chemistry Letters. 5, 3, p. 481-484 4 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Design and validation of non-metal oxo complexes for C–H activation

Cheng, M. J., Fu, R. & Goddard, W. A., 2014 Jan 21, In : Chemical Communications. 50, 14, p. 1748-1750 3 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)
23 Citations (Scopus)
22 Citations (Scopus)