2D Covalent Metals: A New Materials Domain of Electrochemical CO2 Conversion with Broken Scaling Relationship

Journal of Physical Chemistry Letters

Volumn 7, Issue 20, 2016, Pages 4124-4129

  Shin, Hyeyoung ^a   Ha, Yoonhoo ^a   Kim, Hyungjun ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CATALYSTS; ENERGY GAP; METALS; REDUCTION;

ADSORPTION ENERGIES; COMPUTATIONAL DESIGN; ELECTRICAL CONDUCTANCE; ELECTROCHEMICAL CATALYST; ELECTROCHEMICAL CONVERSION; HIGH THROUGHPUT SCREENING; HYDROGEN EVOLUTION REACTIONS; SCALING RELATIONSHIPS;

CARBON DIOXIDE;

EID: 84992192213     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.6b01876     Document Type: Article

References (31)

1. 2 Methanation over Heterogeneous Catalysts: Recent Progress and Future Prospects Green Chem. 2015, 17, 2647-2663 10.1039/C5GC00119F
2. 2 at Metal-Electrodes in Aqueous-Media Electrochim. Acta 1994, 39, 1833-1839 10.1016/0013-4686(94)85172-7
3. 2 to Methane at the Cu Electrode in Methanol with Sodium Supporting Salts and Its Comparison with Other Alkaline Salts Energy Fuels 2006, 20, 409-414 10.1021/ef050274d
4. 2 Electroreduction in the Presence of Halides ACS Catal. 2016, 6, 2136-2144 10.1021/acscatal.5b02550
5. 2 to CO at Low Overpotentials Science 2011, 334, 643-644 10.1126/science.1209786
6. 2 Reduction at Very Low Overpotential on Oxide-Derived Au Nanoparticles J. Am. Chem. Soc. 2012, 134, 19969-19972 10.1021/ja309317u
7. 2 over Au Nanoparticles J. Am. Chem. Soc. 2014, 136, 16473-16476 10.1021/ja508879j
8. 2 Reduction ACS Catal. 2016, 6, 4443-4448 10.1021/acscatal.6b00412
9. 2 Reduction Using Immobilized Silver Nanoparticles J. Am. Chem. Soc. 2015, 137, 13844-13850 10.1021/jacs.5b06568
10. 2 Electroreduction on a Hexagonal Zn Catalyst Angew. Chem., Int. Ed. 2016, 55, 9297-9300 10.1002/anie.201602888
11. 2 Utilization via Direct Heterogeneous Electrochemical Reduction J. Phys. Chem. Lett. 2010, 1, 3451-3458 10.1021/jz1012627
12. Abild-Pedersen, F.; Greeley, J.; Studt, F.; Rossmeisl, J.; Munter, T. R.; Moses, P. G.; Skulason, E.; Bligaard, T.; Nørskov, J. K. Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces Phys. Rev. Lett. 2007, 99, 016105 10.1103/PhysRevLett.99.016105
13. 2 J. Am. Chem. Soc. 2014, 136, 11355-11361 10.1021/ja503782w
14. 2 Reduction to CO J. Phys. Chem. Lett. 2013, 4, 388-392 10.1021/jz3021155
15. 2 and CO Phys. Chem. Chem. Phys. 2016, 18, 9194-9201 10.1039/C5CP07717F
16. Fernandez, E. M.; Moses, P. G.; Toftelund, A.; Hansen, H. A.; Martinez, J. I.; Abild-Pedersen, F.; Kleis, J.; Hinnemann, B.; Rossmeisl, J.; Bligaard, T.; Nørskov, J. K. Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces Angew. Chem., Int. Ed. 2008, 47, 4683-4686 10.1002/anie.200705739
17. Calle-Vallejo, F.; Loffreda, D.; Koper, M. T. M.; Sautet, P. Introducing Structural Sensitivity into Adsorption-Energy Scaling Relations by Means of Coordination Numbers Nat. Chem. 2015, 7, 403-410 10.1038/nchem.2226
18. Calle-Vallejo, F.; Koper, M. T. M.; Bandarenka, A. S. Tailoring the Catalytic Activity of Electrodes with Monolayer Amounts of Foreign Metals Chem. Soc. Rev. 2013, 42, 5210-5230 10.1039/c3cs60026b
19. 2 Reduction ChemCatChem 2014, 6, 1899-1905 10.1002/cctc.201402128
20. Asadi, M.; Kumar, B.; Behranginia, A.; Rosen, B. A.; Baskin, A.; Repnin, N.; Pisasale, D.; Phillips, P.; Zhu, W.; Haasch, R.; Klie, R. F.; Kral, P.; Abiade, J.; Salehi-Khojin, A. Robust Carbon Dioxide Reduction on Molybdenum Disulphide Edges Nat. Commun. 2014, 5, 5470 10.1038/ncomms5470
21. 2 Electrochemical Reduction ACS Catal. 2016, 6, 4428-4437 10.1021/acscatal.6b00619
22. Lebegue, S.; Bjorkman, T.; Klintenberg, M.; Nieminen, R. M.; Eriksson, O. Two-Dimensional Materials from Data Filtering and Ab Initio Calculations Phys. Rev. X 2013, 3, 031002 10.1103/PhysRevX.3.031002
23. Ataca, C.; Sahin, H.; Ciraci, S. Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure J. Phys. Chem. C 2012, 116, 8983-8999 10.1021/jp212558p
24. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for ab initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
25. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
26. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979 10.1103/PhysRevB.50.17953
27. Hammer, B.; Nørskov, J. K. Theoretical Surface Science and Catalysis-Calculations and Concepts Adv. Catal. 2000, 45, 71-129 10.1016/S0360-0564(02)45013-4
28. Fishman, M.; Zhuang, H. L. L.; Mathew, K.; Dirschka, W.; Hennig, R. G. Accuracy of Exchange-Correlation Functionals and Effect of Solvation on the Surface Energy of Copper Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 245402 10.1103/PhysRevB.87.245402
29. Peterson, A. A.; Abild-Pedersen, F.; Studt, F.; Rossmeisl, J.; Nørskov, J. K. How Copper Catalyzes the Electroreduction of Carbon Dioxide into Hydrocarbon Fuels Energy Environ. Sci. 2010, 3, 1311-1315 10.1039/c0ee00071j
30. Calle-Vallejo, F.; Martinez, J. I.; Garcia-Lastra, J. M.; Rossmeisl, J.; Koper, M. T. M. Physical and Chemical Nature of the Scaling Relations between Adsorption Energies of Atoms on Metal Surfaces Phys. Rev. Lett. 2012, 108, 116103 10.1103/PhysRevLett.108.116103
31. Andersson, K. J.; Calle-Vallejo, F.; Rossmeisl, J.; Chorkendorff, L. Adsorption-Driven Surface Segregation of the Less Reactive Alloy Component J. Am. Chem. Soc. 2009, 131, 2404-2407 10.1021/ja8089087