DOI: 10.1039/c5cp07717f. Bifunctional alloys for the electroreduction of CO<sub>2</sub>and CO

Bifunctional alloys for the electroreduction of CO2and CO

10.1039/c5cp07717f

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

Abstract

We use density functional theory to study the reduction of CO2and CO to hydrocarbons through a formyl pathway on (111) and (211) facets of L12alloys with an A3B composition.

Bibliography

Hansen, H. A., Shi, C., Lausche, A. C., Peterson, A. A., & NÃ¸rskov, J. K. (2016). Bifunctional alloys for the electroreduction of CO2and CO. Physical Chemistry Chemical Physics, 18(13), 9194â9201.

Authors 5

H. A. Hansen (first)
C. Shi (additional)
A. C. Lausche (additional)
A. A. Peterson (additional)
J. K. Nørskov (additional)

References 38 Referenced 137

Y. Hori , Modern Aspects of Electrochemistry, Springer, New York, 2008, vol. 42 / Modern Aspects of Electrochemistry by Hori (2008)
10.1021/ja1023496 / J. Am. Chem. Soc. by Cole (2010)
10.1126/science.1209786 / Science by Rosen (2011)
10.1038/ncomms4242 / Nat. Commun. by Lu (2014)
10.1021/ja309317u / J. Am. Chem. Soc. by Chen (2012)
10.1021/ja3010978 / J. Am. Chem. Soc. by Li (2012)
10.1002/cctc.201402128 / ChemCatChem by Chan (2014)
10.1021/cs500328c / ACS Catal. by Karamad (2014)
10.1021/ja503782w / J. Am. Chem. Soc. by Lim (2014)
10.1021/cs501600x / ACS Catal. by Back (2015)
10.1039/c2ee21234j / Energy Environ. Sci. by Kuhl (2012)
10.1016/j.jelechem.2006.05.013 / J. Electroanal. Chem. by Gattrell (2006)
10.1039/c0ee00071j / Energy Environ. Sci. by Peterson (2010)
10.1002/cctc.201200564 / ChemCatChem by Montoya (2013)
10.1016/j.jcat.2014.01.013 / J. Catal. by Nie (2014)
10.1038/nature13249 / Nature by Li (2014)
10.1039/c1sc00277e / Chem. Sci. by Schouten (2011)
10.1039/c3cp54822h / Phys. Chem. Chem. Phys. by Shi (2014)
10.1002/anie.201301470 / Angew. Chem., Int. Ed. Engl. by Calle-Vallejo (2013)
10.1021/acs.jpclett.5b00722 / J. Phys. Chem. Lett. by Montoya (2015)
10.1021/jz201461p / J. Phys. Chem. Lett. by Peterson (2012)
10.1007/s12678-015-0246-1 / Electrocatalysis by Javier (2015)
10.1002/anie.201208320 / Angew. Chem., Int. Ed. Engl. by Nie (2013)
10.1109/5992.998641 / Comput. Sci. Eng. by Bahn (2002)
10.1103/PhysRevB.59.7413 / Phys. Rev. B: Condens. Matter Mater. Phys. by Hammer (1999)
10.1103/PhysRevB.41.7892 / Phys. Rev. B: Condens. Matter Mater. Phys. by Vanderbilt (1990)
10.1103/PhysRevB.13.5188 / Phys. Rev. B: Condens. Matter Mater. Phys. by Monkhorst (1976)
10.1103/PhysRevB.59.12301 / Phys. Rev. B: Condens. Matter Mater. Phys. by Bengtsson (1999)
10.1021/jp047349j / J. Phys. Chem. B by Nørskov (2004)
10.1016/j.susc.2011.04.028 / Surf. Sci. by Durand (2011)
10.1021/jz3021155 / J. Phys. Chem. Lett. by Hansen (2013)
10.1088/1367-2630/15/12/125021 / New J. Phys. by Xu (2013)
W. M. Haynes , T. J.Bruno and D. R.Lide, CRC Handbook of Chemistry and Physics, CRC Press/Taylor and Francis, Boca Raton, FL, 93rd edn, 2013 / CRC Handbook of Chemistry and Physics by Haynes (2013)
10.1149/1.2055067 / J. Electrochem. Soc. by Hara (1994)
10.1039/ft9918700125 / J. Chem. Soc., Faraday Trans. by Hori (1991)
10.1007/s12678-015-0248-z / Electrocatalysis by Lates (2015)
10.1021/cr400461p / Chem. Rev. by Can (2014)
10.1039/b919669b / Phys. Chem. Chem. Phys. by Borissov (2010)

Dates

Type	When
Created	9 years, 5 months ago (March 7, 2016, 6:07 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 6 p.m.)
Indexed	3 months, 1 week ago (May 16, 2025, 4:07 a.m.)
Issued	9 years, 7 months ago (Jan. 1, 2016)
Published	9 years, 7 months ago (Jan. 1, 2016)
Published Online	9 years, 7 months ago (Jan. 1, 2016)

Funders 1

U.S. Department of Energy 10.13039/100000015
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards1
1. DE-SC0004993

BibTeX

@article{Hansen_2016, title={Bifunctional alloys for the electroreduction of CO2and CO}, volume={18}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c5cp07717f}, DOI={10.1039/c5cp07717f}, number={13}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Hansen, H. A. and Shi, C. and Lausche, A. C. and Peterson, A. A. and Nørskov, J. K.}, year={2016}, pages={9194–9201} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        5,
        16
      ]
    ],
    "date-time": "2025-05-16T08:07:28Z",
    "timestamp": 1747382848740,
    "version": "3.37.3"
  },
  "reference-count": 38,
  "publisher": "Royal Society of Chemistry (RSC)",
  "issue": "13",
  "funder": [
    {
      "DOI": "10.13039/100000015",
      "name": "U.S. Department of Energy",
      "doi-asserted-by": "crossref",
      "award": [
        "DE-SC0004993"
      ],
      "id": [
        {
          "id": "10.13039/100000015",
          "id-type": "DOI",
          "asserted-by": "crossref"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [
      "rsc.org"
    ],
    "crossmark-restriction": true
  },
  "abstract": "<p>We use density functional theory to study the reduction of CO<sub>2</sub>and CO to hydrocarbons through a formyl pathway on (111) and (211) facets of L1<sub>2</sub>alloys with an A<sub>3</sub>B composition.</p>",
  "DOI": "10.1039/c5cp07717f",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2016,
        3,
        7
      ]
    ],
    "date-time": "2016-03-07T11:07:42Z",
    "timestamp": 1457348862000
  },
  "page": "9194-9201",
  "update-policy": "https://doi.org/10.1039/rsc_crossmark_policy",
  "source": "Crossref",
  "is-referenced-by-count": 137,
  "title": "Bifunctional alloys for the electroreduction of CO<sub>2</sub>and CO",
  "prefix": "10.1039",
  "volume": "18",
  "author": [
    {
      "given": "H. A.",
      "family": "Hansen",
      "sequence": "first",
      "affiliation": [
        {
          "name": "SUNCAT Center for Interface Science and Catalysis"
        },
        {
          "name": "Department of Chemical Engineering"
        },
        {
          "name": "Stanford University"
        },
        {
          "name": "Stanford"
        },
        {
          "name": "USA"
        }
      ]
    },
    {
      "given": "C.",
      "family": "Shi",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "SUNCAT Center for Interface Science and Catalysis"
        },
        {
          "name": "Department of Chemical Engineering"
        },
        {
          "name": "Stanford University"
        },
        {
          "name": "Stanford"
        },
        {
          "name": "USA"
        }
      ]
    },
    {
      "given": "A. C.",
      "family": "Lausche",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "SUNCAT Center for Interface Science and Catalysis"
        },
        {
          "name": "SLAC National Accelerator Laboratory"
        },
        {
          "name": "Menlo Park"
        },
        {
          "name": "USA"
        }
      ]
    },
    {
      "given": "A. A.",
      "family": "Peterson",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "SUNCAT Center for Interface Science and Catalysis"
        },
        {
          "name": "Department of Chemical Engineering"
        },
        {
          "name": "Stanford University"
        },
        {
          "name": "Stanford"
        },
        {
          "name": "USA"
        }
      ]
    },
    {
      "given": "J. K.",
      "family": "N\u00f8rskov",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "SUNCAT Center for Interface Science and Catalysis"
        },
        {
          "name": "Department of Chemical Engineering"
        },
        {
          "name": "Stanford University"
        },
        {
          "name": "Stanford"
        },
        {
          "name": "USA"
        }
      ]
    }
  ],
  "member": "292",
  "published-online": {
    "date-parts": [
      [
        2016
      ]
    ]
  },
  "reference": [
    {
      "key": "C5CP07717F-(cit1)/*[position()=1]",
      "volume-title": "Modern Aspects of Electrochemistry",
      "author": "Hori",
      "year": "2008",
      "unstructured": "Y. Hori , Modern Aspects of Electrochemistry, Springer, New York, 2008, vol. 42"
    },
    {
      "key": "C5CP07717F-(cit2)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "11539",
      "DOI": "10.1021/ja1023496",
      "volume": "132",
      "author": "Cole",
      "year": "2010",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C5CP07717F-(cit3)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "643",
      "DOI": "10.1126/science.1209786",
      "volume": "334",
      "author": "Rosen",
      "year": "2011",
      "journal-title": "Science"
    },
    {
      "key": "C5CP07717F-(cit4)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3242",
      "DOI": "10.1038/ncomms4242",
      "volume": "5",
      "author": "Lu",
      "year": "2014",
      "journal-title": "Nat. Commun."
    },
    {
      "key": "C5CP07717F-(cit5)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "19969",
      "DOI": "10.1021/ja309317u",
      "volume": "134",
      "author": "Chen",
      "year": "2012",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C5CP07717F-(cit6)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7231",
      "DOI": "10.1021/ja3010978",
      "volume": "134",
      "author": "Li",
      "year": "2012",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C5CP07717F-(cit7)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1899",
      "DOI": "10.1002/cctc.201402128",
      "volume": "6",
      "author": "Chan",
      "year": "2014",
      "journal-title": "ChemCatChem"
    },
    {
      "key": "C5CP07717F-(cit8)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2268",
      "DOI": "10.1021/cs500328c",
      "volume": "4",
      "author": "Karamad",
      "year": "2014",
      "journal-title": "ACS Catal."
    },
    {
      "key": "C5CP07717F-(cit9)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "11355",
      "DOI": "10.1021/ja503782w",
      "volume": "136",
      "author": "Lim",
      "year": "2014",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C5CP07717F-(cit10)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "965",
      "DOI": "10.1021/cs501600x",
      "volume": "5",
      "author": "Back",
      "year": "2015",
      "journal-title": "ACS Catal."
    },
    {
      "key": "C5CP07717F-(cit11)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7050",
      "DOI": "10.1039/c2ee21234j",
      "volume": "5",
      "author": "Kuhl",
      "year": "2012",
      "journal-title": "Energy Environ. Sci."
    },
    {
      "key": "C5CP07717F-(cit12)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/j.jelechem.2006.05.013",
      "volume": "594",
      "author": "Gattrell",
      "year": "2006",
      "journal-title": "J. Electroanal. Chem."
    },
    {
      "key": "C5CP07717F-(cit13)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1311",
      "DOI": "10.1039/c0ee00071j",
      "volume": "3",
      "author": "Peterson",
      "year": "2010",
      "journal-title": "Energy Environ. Sci."
    },
    {
      "key": "C5CP07717F-(cit14)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "737",
      "DOI": "10.1002/cctc.201200564",
      "volume": "5",
      "author": "Montoya",
      "year": "2013",
      "journal-title": "ChemCatChem"
    },
    {
      "key": "C5CP07717F-(cit15)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "108",
      "DOI": "10.1016/j.jcat.2014.01.013",
      "volume": "312",
      "author": "Nie",
      "year": "2014",
      "journal-title": "J. Catal."
    },
    {
      "key": "C5CP07717F-(cit16)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "504",
      "DOI": "10.1038/nature13249",
      "volume": "508",
      "author": "Li",
      "year": "2014",
      "journal-title": "Nature"
    },
    {
      "key": "C5CP07717F-(cit17)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1902",
      "DOI": "10.1039/c1sc00277e",
      "volume": "2",
      "author": "Schouten",
      "year": "2011",
      "journal-title": "Chem. Sci."
    },
    {
      "key": "C5CP07717F-(cit18)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4720",
      "DOI": "10.1039/c3cp54822h",
      "volume": "16",
      "author": "Shi",
      "year": "2014",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "C5CP07717F-(cit19)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7282",
      "DOI": "10.1002/anie.201301470",
      "volume": "52",
      "author": "Calle-Vallejo",
      "year": "2013",
      "journal-title": "Angew. Chem., Int. Ed. Engl."
    },
    {
      "key": "C5CP07717F-(cit20)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2032",
      "DOI": "10.1021/acs.jpclett.5b00722",
      "volume": "6",
      "author": "Montoya",
      "year": "2015",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C5CP07717F-(cit21)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "251",
      "DOI": "10.1021/jz201461p",
      "volume": "3",
      "author": "Peterson",
      "year": "2012",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C5CP07717F-(cit22)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "127",
      "DOI": "10.1007/s12678-015-0246-1",
      "volume": "6",
      "author": "Javier",
      "year": "2015",
      "journal-title": "Electrocatalysis"
    },
    {
      "key": "C5CP07717F-(cit23)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2459",
      "DOI": "10.1002/anie.201208320",
      "volume": "52",
      "author": "Nie",
      "year": "2013",
      "journal-title": "Angew. Chem., Int. Ed. Engl."
    },
    {
      "key": "C5CP07717F-(cit24)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "56",
      "DOI": "10.1109/5992.998641",
      "volume": "4",
      "author": "Bahn",
      "year": "2002",
      "journal-title": "Comput. Sci. Eng."
    },
    {
      "key": "C5CP07717F-(cit25)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7413",
      "DOI": "10.1103/PhysRevB.59.7413",
      "volume": "59",
      "author": "Hammer",
      "year": "1999",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C5CP07717F-(cit26)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7892",
      "DOI": "10.1103/PhysRevB.41.7892",
      "volume": "41",
      "author": "Vanderbilt",
      "year": "1990",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C5CP07717F-(cit27)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5188",
      "DOI": "10.1103/PhysRevB.13.5188",
      "volume": "13",
      "author": "Monkhorst",
      "year": "1976",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C5CP07717F-(cit28)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "12301",
      "DOI": "10.1103/PhysRevB.59.12301",
      "volume": "59",
      "author": "Bengtsson",
      "year": "1999",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C5CP07717F-(cit29)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "17886",
      "DOI": "10.1021/jp047349j",
      "volume": "108",
      "author": "N\u00f8rskov",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "C5CP07717F-(cit30)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1354",
      "DOI": "10.1016/j.susc.2011.04.028",
      "volume": "605",
      "author": "Durand",
      "year": "2011",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "C5CP07717F-(cit31)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "388",
      "DOI": "10.1021/jz3021155",
      "volume": "4",
      "author": "Hansen",
      "year": "2013",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C5CP07717F-(cit32)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "125021",
      "DOI": "10.1088/1367-2630/15/12/125021",
      "volume": "15",
      "author": "Xu",
      "year": "2013",
      "journal-title": "New J. Phys."
    },
    {
      "key": "C5CP07717F-(cit33)/*[position()=1]",
      "volume-title": "CRC Handbook of Chemistry and Physics",
      "author": "Haynes",
      "year": "2013",
      "unstructured": "W. M. Haynes , T. J.Bruno and D. R.Lide, CRC Handbook of Chemistry and Physics, CRC Press/Taylor and Francis, Boca Raton, FL, 93rd edn, 2013"
    },
    {
      "key": "C5CP07717F-(cit34)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2097",
      "DOI": "10.1149/1.2055067",
      "volume": "141",
      "author": "Hara",
      "year": "1994",
      "journal-title": "J. Electrochem. Soc."
    },
    {
      "key": "C5CP07717F-(cit35)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "125",
      "DOI": "10.1039/ft9918700125",
      "volume": "87",
      "author": "Hori",
      "year": "1991",
      "journal-title": "J. Chem. Soc., Faraday Trans."
    },
    {
      "key": "C5CP07717F-(cit36)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "308",
      "DOI": "10.1007/s12678-015-0248-z",
      "volume": "6",
      "author": "Lates",
      "year": "2015",
      "journal-title": "Electrocatalysis"
    },
    {
      "key": "C5CP07717F-(cit37)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4149",
      "DOI": "10.1021/cr400461p",
      "volume": "114",
      "author": "Can",
      "year": "2014",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "C5CP07717F-(cit38)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2059",
      "DOI": "10.1039/b919669b",
      "volume": "12",
      "author": "Borissov",
      "year": "2010",
      "journal-title": "Phys. Chem. Chem. Phys."
    }
  ],
  "container-title": "Physical Chemistry Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07717F",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        4,
        17
      ]
    ],
    "date-time": "2024-04-17T22:00:32Z",
    "timestamp": 1713391232000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://xlink.rsc.org/?DOI=C5CP07717F"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2016
      ]
    ]
  },
  "references-count": 38,
  "journal-issue": {
    "issue": "13",
    "published-print": {
      "date-parts": [
        [
          2016
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1039/C5CP07717F",
  "relation": {},
  "ISSN": [
    "1463-9076",
    "1463-9084"
  ],
  "subject": [],
  "container-title-short": "Phys. Chem. Chem. Phys.",
  "published": {
    "date-parts": [
      [
        2016
      ]
    ]
  },
  "assertion": [
    {
      "value": "This document is Similarity Check deposited",
      "name": "similarity_check",
      "explanation": {
        "URL": "https://www.crossref.org/services/similarity-check/"
      },
      "group": {
        "name": "similarity_check",
        "label": "SIMILARITY CHECK"
      }
    },
    {
      "value": "Supplementary Information",
      "URL": "https://doi.org/10.1039/C5CP07717F",
      "name": "related_data",
      "group": {
        "name": "related_data",
        "label": "RELATED DATA"
      }
    },
    {
      "value": "H. A. Hansen (ResearcherID)",
      "URL": "http://www.researcherid.com/rid/G-3044-2013",
      "name": "identifier",
      "group": {
        "name": "author_identifiers",
        "label": "IDENTIFIERS"
      }
    },
    {
      "value": "The PCCP Owner Societies have an exclusive publication licence for this journal",
      "name": "copyright_licence",
      "group": {
        "name": "copyright_licensing",
        "label": "COPYRIGHT AND LICENSING"
      }
    },
    {
      "value": "Single-blind",
      "order": 2,
      "name": "peer_review_method",
      "group": {
        "name": "peer_review_method",
        "label": "PEER REVIEW METHOD"
      }
    },
    {
      "value": "Received 14 December 2015; Accepted 5 March 2016; Accepted Manuscript published 7 March 2016; Advance Article published 14 March 2016; Version of Record published 23 March 2016",
      "order": 1,
      "name": "history",
      "group": {
        "name": "publication_history",
        "label": "PUBLICATION HISTORY"
      }
    }
  ]
}