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References
62
[1]
Bushuyev, O. S. et al. What should we make with CO2 and how can we make it? Joule 2, 1–8 (2018). 10.1016/j.joule.2017.09.003
[2]
Mistry, H., Varela, A. S., Kühl, S., Strasser, P. & Cuenya, B. R. Nanostructured electrocatalysts with tunable activity and selectivity. Nat. Rev. Mater. 1, 16009 (2016). 10.1038/natrevmats.2016.9
[3]
Schouten, K., Kwon, Y., Van der Ham, C., Qin, Z. & Koper, M. A new mechanism for the selectivity to C1 and C2 species in the electrochemical reduction of carbon dioxide on copper electrodes. Chem. Sci. 2, 1902–1909 (2011). 10.1039/c1sc00277e
[4]
Hori, Y. Modern Aspects of Electrochemistry 89–189 (Springer, 2008).
[5]
Wang, Y., Liu, J., Wang, Y., Al-Enizi, A. M. & Zheng, G. Tuning of CO2 reduction selectivity on metal electrocatalysts. Small 13, 1701809 (2017). 10.1002/smll.201701809
[6]
Hoang, T. T. H., Ma, S., Gold, J. I., Kenis, P. J. A. & Gewirth, A. A. Nanoporous copper films by additive-controlled electrodepsition: CO2 reduction catalysis. ACS Catal. 7, 3313–3321 (2017). 10.1021/acscatal.6b03613
[7]
De Luna, P. et al. Catalyst electro-redeposition controls morphology and oxidation state for selective carbon dioxide reduction. Nat. Catal. 1, 103–110 (2018). 10.1038/s41929-017-0018-9
[8]
Mistry, H. et al. Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene. Nat. Commun. 7, 12123 (2016).
[9]
Hoang, T. T. H. et al. Nano porous copper-silver alloys by additive-controlled electro-deposition for the selective electroreduction of CO2 to ethylene and ethanol. J. Am. Chem. Soc. 140, 5791–5797 (2018). 10.1021/jacs.8b01868
[10]
Zhuang, T.-T. et al. Steering post-C–C coupling selectivity enables high efficiency electroreduction of carbon dioxide to multi-carbon alcohols. Nat. Catal. 1, 421–428 (2018). 10.1038/s41929-018-0084-7
[11]
Li, C. W., Ciston, J. & Kanan, M. W. Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper. Nature 508, 504–507 (2014). 10.1038/nature13249
[12]
Jiang, K. et al. Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction. Nat. Catal. 1, 111–119 (2018). 10.1038/s41929-017-0009-x
[13]
CO2 Reduction at Low Overpotential on Cu Electrodes Resulting from the Reduction of Thick Cu2O Films

Matthew W. Kanan

Journal of the American Chemical Society 2012 10.1021/ja3010978
[14]
Reller, C. et al. Selective electroreduction of CO2 toward ethylene on nano dendritic copper catalysts at high current density. Adv. Energy Mater. 7, 1602114 (2017). 10.1002/aenm.201602114
[15]
Pérez Gallent, E., Marcandalli, G., Figueiredo, M. C., Calle-Vallejo, F. & Koper, M. Structure- and potential-dependent cation effects on CO reduction at copper single-crystal electrodes. J. Am. Chem. Soc. 139, 16412–16419 (2017). 10.1021/jacs.7b10142
[16]
Pérez Gallent, E., Figueiredo, M. C., Calle-Vallejo, F. & Koper, M. Spectroscopic observation of a hydrogenated CO dimer intermediate during CO reduction on Cu(100) electrodes. Angew. Chem. Int. Ed. 56, 3621–3624 (2017). 10.1002/anie.201700580
[17]
Hori, Y., Takahashi, I., Koga, O. & Hoshi, N. Electrochemical reduction of carbon dioxide at various series of copper single crystal electrodes. J. Mol. Catal. A: Chem. 199, 39–47 (2003). 10.1016/s1381-1169(03)00016-5
[18]
Roberts, F. S., Kuhl, K. P. & Nilsson, A. High selectivity for ethlyene from carbon dioxide reduction over copper nanocube electrocatalysts. Angew. Chem. Int. Ed. 54, 5179–5182 (2015). 10.1002/anie.201412214
[19]
Jin, M. et al. Shape-controlled synthesis of copper nanocrystals in an aqueous solution with glucose as a reducing agent and hexadecylamine as a capping agent. Angew. Chem. Int. Ed. 50, 10560–10564 (2011). 10.1002/anie.201105539
[20]
Huang, J. et al. Potential-induced nanoculstering of metallic catalysts during electrochemcial CO2 reduction. Nat. Commun. 9, 3117 (2018).
[21]
Tran, R. et al. Surface energies of elemental crystals. Sci. Data 3, 160080 (2016). 10.1038/sdata.2016.80
[22]
Droog, J. M. M. & Schlenter, B. Oxygen electrosorption on copper single crystal electrodes in sodium hydroxide solution. J. Electroanal. Chem. 112, 387–390 (1980). 10.1016/s0022-0728(80)80421-9
[23]
Raciti, D. et al. Low-overpotential electroreduction of carbon monoxide using copper nanowires. ACS Catal. 7, 4467–4472 (2017). 10.1021/acscatal.7b01124
[24]
Yin, Y. & Alivisatos, A. P. Colloidal nanocrystal synthesis and the organic–inorganic interface. Nature 437, 664–670 (2005). 10.1038/nature04165
[25]
Zhuang, T.-T. et al. 1D colloidal hetero-nanomaterials with programmed semichonductor morphology and metal location for enhancing solar energy conversion. Small 13, 1602629 (2017). 10.1002/smll.201602629
[26]
Dinh, C.-T. et al. CO2 electroreduction to ethylene via hydroxide-mediated copper catalysis at an abrupt interface. Science 360, 783–787 (2018). 10.1126/science.aas9100
[27]
Cheng, T., Xiao, H. & Goddard, W. A. III Nature of the active sites for CO reduction on copper nanoparticles; suggestions for optimizing performance. J. Am. Chem. Soc. 139, 11642–11645 (2017). 10.1021/jacs.7b03300
[28]
Liu, X. et al. Understanding trends in electrochemical carbon dioxide reduction rates. Nat. Commun. 8, 15438 (2017).
[29]
Reske, R., Mistry, H., Behafarid, F., Roldan Cuenya, B. & Strasser, P. Size effects in the catalytic electroreduction of CO2 on Cu nanoparticles. J. Am. Chem. Soc. 136, 6978–6986 (2014). 10.1021/ja500328k
[30]
Huang, X. et al. Freestanding palladium nanosheets with plasmonic and catalytic properties. Nat. Nanotechnol. 6, 28–32 (2011). 10.1038/nnano.2010.235
[31]
Kang, Y., Ye, X. & Murray, C. B. Size- and shape-selective synthesis of metal nanocrytals and nanowires using CO as a reducing agent. Angew. Chem. Int. Ed. 49, 6156–6159 (2010). 10.1002/anie.201003383
[32]
Cui, C. et al. Carbon monoxide-assisted size confinement of bimetallic alloy nanoparticels. J. Am. Chem. Soc. 136, 4813–4816 (2014). 10.1021/ja4124658
[33]
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G. Kresse, J. Furthmüller

Physical Review B 1996 10.1103/physrevb.54.11169
[34]
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

G. Kresse, J. Furthmüller

Computational Materials Science 1996 10.1016/0927-0256(96)00008-0
[35]
[36]
Ab initiomolecular dynamics for liquid metals

G. Kresse, J. Hafner

Physical Review B 1993 10.1103/physrevb.47.558
[37]
Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof

Physical Review Letters 1996 10.1103/physrevlett.77.3865
[38]
From ultrasoft pseudopotentials to the projector augmented-wave method

G. Kresse, D. Joubert

Physical Review B 1999 10.1103/physrevb.59.1758
[39]
Projector augmented-wave method

P. E. Blöchl

Physical Review B 1994 10.1103/physrevb.50.17953
[40]
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al.

The Journal of Chemical Physics 2010 10.1063/1.3382344
[41]
Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk

Journal of Computational Chemistry 2011 10.1002/jcc.21759
[42]
Michaelides, A. et al. Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces. J. Am. Chem. Soc. 125, 3704–3705 (2003). 10.1021/ja027366r
[43]
Liu, Z. P. & Hu, P. General rules for predicting where a catalytic reaction should occur on metal surfaces: A density functional theory study of C–H and C–O bond breaking/making on flat, stepped, and kinked metal surfaces. J. Am. Chem. Soc. 125, 1958–1967 (2003). 10.1021/ja0207551
[44]
Alavi, A., Hu, P. J., Deutsch, T., Silvestrelli, P. L. & Hutter, J. CO oxidation on Pt(111): an ab initio density functional theory study. Phys. Rev. Lett. 80, 3650–3653 (1998). 10.1103/physrevlett.80.3650
[45]
Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction

Joseph H. Montoya, Chuan Shi, Karen Chan et al.

The Journal of Physical Chemistry Letters 2015 10.1021/acs.jpclett.5b00722
[46]
van Duin, A. C. T. et al. Development and validation of a reaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases. J. Phys. Chem. A 114, 9507–9514 (2010). 10.1021/jp102272z
[47]
Cheng, T., Xiao, H. & Goddard, W. A. Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free energy calculation at 298 K. Proc. Natl Acad. Sci. USA 114, 1795–1800 (2017). 10.1073/pnas.1612106114
[48]
Sundararaman, R. & Goddard, W. A. III The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model. J. Chem. Phys. 142, 064107 (2015). 10.1063/1.4907731
[49]
Xiao, H., Cheng, T. & Goddard, W. A. III Atomistic mechanisms underlying selectivities in C1 and C2 products from electrochemical reduction of CO on Cu(111). J. Am. Chem. Soc. 139, 130–136 (2017). 10.1021/jacs.6b06846
[50]
Sundararaman, R., Goddard, W. A. II & Arias, T. A. Grand canonical electronic density-functional theory: algorithms and applications to electrochemistry. J. Chem. Phys. 146, 114104 (2017). 10.1063/1.4978411

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