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Referenced by:
Manuscript title: A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction
Journal: Nat. Commun.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Shin, Seung-Jae | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2022-08-31T02:38:16Z | - |
| dc.date.available | 2022-08-31T02:38:16Z | - |
| dc.date.created | 2022-08-31T04:38:13.951+02:00 | - |
| dc.date.issued | 2022-08-31T04:38:13.951+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/217079 | - |
| dc.description | CC_H_OH adsorbate | - |
| dc.publisher | Chemistry, KAIST | - |
| dc.relation | Original title: A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction DOI: 10.1038/s41467-022-33199-8 Journal: Nat. Commun. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-162 | - |
| dc.relation.uri | http://dx.doi.org/10.1038/s41467-022-33199-8 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | CC_H_OH_adsorbate | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-08-31T02:38:16Z | - |
| cml.program.name | QuantumEspresso | en |
| cml.program.version | 6.3 | en |
| cml.method | SLA PW PBX PBC | en |
| cml.basisset | PAW | en |
| cml.shelltype | Closed | en |
| cml.charge | -1.33333 | en |
| cml.energy.value | -157651.926811 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C2H2Cu54O | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | DFT_data - DOI: 10.19061/iochem-bd-6-162 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/217079
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