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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-1-326
This dataset derived results are published in:
Manuscript title: Controlling hydrocarbon chain growth and degree of branching in CO2 electroreduction on fluorine-doped nickel catalysts
Journal: Nature Catalysis
View as
- ROOT
- F_Ni_1
- 001
- CO
- 001
- Ni
- 111
- adsorption
- CH2
- CH2CO
- CH3CH2O
- CH3CHO
- CH3CHOH
- CO
- slab
- adsorption
- 111
- Ni_F_Ni_1
- 110_001
- 2_layer
- clean
- i101101
- i120101
- i221101
- i231102
- i240101
- i240102
- i241101
- i250101
- i251101
- i251102
- i260101
- i341204
- 2_layer
- 111_001
- 1_layer
- adsorption
- CO
- slab
- adsorption
- 2_layer
- NEB
- CH2CO_CO+CH2
- CH3CO_CO+CH3
- COCH2CH3_CO+CH2CH3
- COCHCH3_CO+CHCH3
- adsorption
- CH2
- CH2CH2
- CH2CO
- CH2COCH2
- CH3CH
- CH3CH2
- CH3CH2CHCO
- CH3CH2O
- CH3CH3
- CH3CHCO
- CH3CHO
- CH3CHOH
- CH3CO
- CH3COCH2
- CHOH
- CO
- CO2
- COCH2CH3
- COOH
- slab
- NEB
- 3_layer
- adsorption
- CH3CH2O
- CH3CHO
- CH3CHOH
- CO
- slab
- adsorption
- 1_layer
- 111_001_2
- 0
- clean
- i101101
- i120101
- i130101
- i221101
- i231102
- i240101
- i240102
- i241101
- i250101
- i251101
- i251102
- i260101
- 0
- 110_001
- F_Ni_1