The DOI matches its Crossref record; 32 of the 32 references it cites were found in a registry or an index.
Electrochemical CO2 Reduction: Classifying Cu Facets
Abstract
For CO 2 reduction reactions, the Cu catalyst is unique, as compared with other metals, because of its ability to produce a wide range of hydrocarbon and oxygenated products. Previously, we have shown that Cu has the unique property of binding CO* without having H* UPD (underpotential deposited). However, the product distribution from Cu depends highly on the exact nature of the Cu surface. In this work, we investigate a series of Cu facets to understand how they affect the product distribution. Some carbon–carbon (CC)-coupled products are statistically shown to highly correlate, while other CC products correlate with C 1 products. We avoid studying the complex reaction network of the CO 2 reduction reaction and focus instead on descriptors for the Cu facet product distribution. The coordination number distribution and the binding energies of the intermediates calculated by density functional theory are investigated as descriptors. The binding energies are close for the Cu facets, and the variation shows that two noncorrelating (orthogonal) binding energies contain up to 70% of the information from the binding energies. Further, structural analysis allows us to uniquely identify the (100)×(110) step sites as specific ethanol-producing sites from the CO 2 reduction reaction
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Scikit-learn: Machine Learning in Python
Pedregosa, F., Varoquaux, G., Gramfort, A., Michel, V., Thirion, B., Grisel, O., Blondel, M., Müller, A., Nothman, J., Louppe, G., et al. (2012) · arXiv · doi:10.48550/arxiv.1201.0490 · Cited by 71,016
Combining theory and experiment in electrocatalysis: Insights into materials design
Seh, Z. W., Kibsgaard, J., Dickens, C. F., Chorkendorff, I., Nørskov, J. K., & Jaramillo, T. F. (2017) · Science · doi:10.1126/science.aad4998 · Cited by 12,114
The path towards sustainable energy
Chu, S., Cui, Y., & Liu, N. (2017) · Nature Materials · doi:10.1038/nmat4834 · Cited by 4,791
The atomic simulation environment—a Python library for working with atoms
Hjorth Larsen, A., Jørgen Mortensen, J., Blomqvist, J., Castelli, I. E., Christensen, R., Dułak, M., Friis, J., Groves, M. N., Hammer, B., Hargus, C., et al. (2017) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/aa680e · Cited by 4,464
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Peterson, A. A., Abild-Pedersen, F., Studt, F., Rossmeisl, J., & Nørskov, J. K. (2010) · Energy & Environmental Science · doi:10.1039/c0ee00071j · Cited by 3,784
Self-citationNew insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
Kuhl, K. P., Cave, E. R., Abram, D. N., & Jaramillo, T. F. (2012) · Energy & Environmental Science · doi:10.1039/c2ee21234j · Cited by 3,160
Enkovaara, J., Rostgaard, C., Mortensen, J. J., Chen, J., Dułak, M., Ferrighi, L., Gavnholt, J., Glinsvad, C., Haikola, V, Hansen, H. A., et al. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/25/253202 · Cited by 2,208
Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide
Kortlever, R., Shen, J., Schouten, K. J. P., Calle-Vallejo, F., & Koper, M. T. M. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b01559 · Cited by 2,175
Hori, Y., Wakebe, H., Tsukamoto, T., & Koga, O. (1994) · Electrochimica Acta · doi:10.1016/0013-4686(94)85172-7 · Cited by 2,140
Real-space grid implementation of the projector augmented wave method
Mortensen, J. J., Hansen, L. B., & Jacobsen, K. W. (2005) · Physical Review B · doi:10.1103/physrevb.71.035109 · Cited by 2,072
Abild-Pedersen, F., Greeley, J., Studt, F., Rossmeisl, J., Munter, T. R., Moses, P. G., Skúlason, E., Bligaard, T., & Nørskov, J. K. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.016105 · Cited by 1,678
Self-citationHori, Y., Murata, A., & Takahashi, R. (1989) · Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases · doi:10.1039/f19898502309 · Cited by 1,640
Wellendorff, J., Lundgaard, K. T., Møgelhøj, A., Petzold, V., Landis, D. D., Nørskov, J. K., Bligaard, T., & Jacobsen, K. W. (2012) · Physical Review B · doi:10.1103/physrevb.85.235149 · Cited by 1,461
Ju, W., Bagger, A., Hao, G.-P., Varela, A. S., Sinev, I., Bon, V., Roldan Cuenya, B., Kaskel, S., Rossmeisl, J., & Strasser, P. (2017) · Nature Communications · doi:10.1038/s41467-017-01035-z · Cited by 1,203
Self-citationElectrochemical CO2 Reduction: A Classification Problem
Bagger, A., Ju, W., Varela, A. S., Strasser, P., & Rossmeisl, J. (2017) · ChemPhysChem · doi:10.1002/cphc.201700736 · Cited by 1,059
Self-citationTheoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
Calle‐Vallejo, F., & Koper, M. T. M. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201301470 · Cited by 941
Selectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
Nie, X., Esopi, M. R., Janik, M. J., & Asthagiri, A. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201208320 · Cited by 926
Electrochemical reduction of carbon dioxide at various series of copper single crystal electrodes
Hori, Y., Takahashi, I., Koga, O., & Hoshi, N. (2003) · Journal of Molecular Catalysis A: Chemical · doi:10.1016/s1381-1169(03)00016-5 · Cited by 759
Goodpaster, J. D., Bell, A. T., & Head-Gordon, M. (2016) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.6b00358 · Cited by 702
Proceedings of the 8th Python in Science Conference
(2009) · Proceedings of the Python in Science Conference · doi:10.25080/rjfg8479 · Cited by 501
Assessing the reliability of calculated catalytic ammonia synthesis rates
Medford, A. J., Wellendorff, J., Vojvodic, A., Studt, F., Abild-Pedersen, F., Jacobsen, K. W., Bligaard, T., & Nørskov, J. K. (2014) · Science · doi:10.1126/science.1253486 · Cited by 377
Kim, Y.-G., Baricuatro, J. H., Javier, A., Gregoire, J. M., & Soriaga, M. P. (2014) · Langmuir · doi:10.1021/la504445g · Cited by 324
Lum, Y., & Ager, J. W. (2018) · Nature Catalysis · doi:10.1038/s41929-018-0201-7 · Cited by 322
Calculations of Product Selectivity in Electrochemical CO2 Reduction
Hussain, J., Jónsson, H., & Skúlason, E. (2018) · ACS Catalysis · doi:10.1021/acscatal.7b03308 · Cited by 310
Electrochemical CO Reduction Builds Solvent Water into Oxygenate Products
Lum, Y., Cheng, T., Goddard, W. A., & Ager, J. W. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.8b03986 · Cited by 251
Schreier, M., Yoon, Y., Jackson, M. N., & Surendranath, Y. (2018) · Angewandte Chemie International Edition · doi:10.1002/anie.201806051 · Cited by 186
Electrochemical CO Reduction: A Property of the Electrochemical Interface
Bagger, A., Arnarson, L., Hansen, M. H., Spohr, E., & Rossmeisl, J. (2019) · Journal of the American Chemical Society · doi:10.1021/jacs.8b08839 · Cited by 180
Self-citationBagger, A., Ju, W., Varela, A. S., Strasser, P., & Rossmeisl, J. (2017) · Catalysis Today · doi:10.1016/j.cattod.2017.02.028 · Cited by 168
Self-citationLedezma-Yanez, I., Gallent, E. P., Koper, M. T. M., & Calle-Vallejo, F. (2016) · Catalysis Today · doi:10.1016/j.cattod.2015.09.029 · Cited by 164
CO2 electroreduction on copper-cobalt nanoparticles: Size and composition effect
Bernal, M., Bagger, A., Scholten, F., Sinev, I., Bergmann, A., Ahmadi, M., Rossmeisl, J., & Cuenya, B. R. (2018) · Nano Energy · doi:10.1016/j.nanoen.2018.08.027 · Cited by 142
Self-citationReconstruction of Cu(100) Electrode Surfaces during Hydrogen Evolution
Matsushima, H., Taranovskyy, A., Haak, C., Gründer, Y., & Magnussen, O. M. (2009) · Journal of the American Chemical Society · doi:10.1021/ja904033t · Cited by 105
Bertheussen, E., Verdaguer‐Casadevall, A., Ravasio, D., Montoya, J. H., Trimarco, D. B., Roy, C., Meier, S., Wendland, J., Nørskov, J. K., Stephens, I. E. L., et al. (2015) · Angewandte Chemie · doi:10.1002/ange.201508851 · Cited by 54
Cited by
Arán-Ais, R. M., Scholten, F., Kunze, S., Rizo, R., & Roldan Cuenya, B. (2020) · Nature Energy · doi:10.1038/s41560-020-0594-9 · Cited by 771
Electrochemical CO2 reduction (CO2RR) to multi-carbon products over copper-based catalysts
Woldu, A. R., Huang, Z., Zhao, P., Hu, L., & Astruc, D. (2022) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2021.214340 · Cited by 578
Zhan, C., Dattila, F., Rettenmaier, C., Bergmann, A., Kühl, S., García-Muelas, R., López, N., & Cuenya, B. R. (2021) · ACS Catalysis · doi:10.1021/acscatal.1c01478 · Cited by 554
Wang, X., Klingan, K., Klingenhof, M., Möller, T., Ferreira de Araújo, J., Martens, I., Bagger, A., Jiang, S., Rossmeisl, J., Dau, H., et al. (2021) · Nature Communications · doi:10.1038/s41467-021-20961-7 · Cited by 373
Self-citationAn, H., Wu, L., Mandemaker, L. D. B., Yang, S., de Ruiter, J., Wijten, J. H. J., Janssens, J. C. L., Hartman, T., van der Stam, W., & Weckhuysen, B. M. (2021) · Angewandte Chemie International Edition · doi:10.1002/anie.202104114 · Cited by 353
Metadata
- Authors
- Bagger, A., Ju, W., Varela, A. S., Strasser, P., & Rossmeisl, J.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2019-07-30
- Volume
- 9
- Issue
- 9
- Pages
- 7894-7899
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W2964386462
- Cited by
- 294
- References
- 32
- FWCI
- 5.98
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
