메뉴 건너뛰기




Volumn 4, Issue 23, 2013, Pages 4058-4063

Theoretical insights into electrochemical CO2 reduction mechanisms catalyzed by surface-bound nitrogen heterocycles

Author keywords

CO2 conversion; density functional theory; electrocatalysis; reduction potentials; renewable energy

Indexed keywords

NEGATIVE ELECTRODE; NITROGEN HETEROCYCLES; QUANTUM CHEMISTRY COMPUTATIONS; REDUCTION MECHANISMS; REDUCTION POTENTIAL; REDUCTION REACTION; RENEWABLE ENERGIES; STANDARD REDUCTION POTENTIALS;

EID: 84890350461     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4021519     Document Type: Article
Times cited : (59)

References (42)
  • 1
    • 80052946468 scopus 로고    scopus 로고
    • Can We Afford to Waste Carbon Dioxide? Carbon Dioxide as a Valuable Source of Carbon for the Production of Light Olefins
    • Centi, G.; Iaquaniello, G.; Perathoner, S. Can We Afford to Waste Carbon Dioxide? Carbon Dioxide as a Valuable Source of Carbon for the Production of Light Olefins ChemSusChem 2011, 4, 1265-1273
    • (2011) ChemSusChem , vol.4 , pp. 1265-1273
    • Centi, G.1    Iaquaniello, G.2    Perathoner, S.3
  • 4
    • 72949117212 scopus 로고    scopus 로고
    • Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels
    • Morris, A. J.; Meyer, G. J.; Fujita, E. Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels Acc. Chem. Res. 2009, 42, 1983-1994
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1983-1994
    • Morris, A.J.1    Meyer, G.J.2    Fujita, E.3
  • 6
    • 84874465037 scopus 로고    scopus 로고
    • Catalysis of the Electrochemical Reduction of Carbon Dioxide
    • Costentin, C.; Robert, M.; Savéant, J.-M. Catalysis of the Electrochemical Reduction of Carbon Dioxide Chem. Soc. Rev. 2013, 42, 2423-2436
    • (2013) Chem. Soc. Rev. , vol.42 , pp. 2423-2436
    • Costentin, C.1    Robert, M.2    Savéant, J.-M.3
  • 11
    • 0002915450 scopus 로고
    • A New Homogeneous Electrocatalyst for the Reduction of Carbon Dioxide to Methanol at Low Overpotential
    • Seshadri, G.; Lin, C.; Bocarsly, A. B. A New Homogeneous Electrocatalyst for the Reduction of Carbon Dioxide to Methanol at Low Overpotential J. Electroanal. Chem. 1994, 372, 145-150
    • (1994) J. Electroanal. Chem. , vol.372 , pp. 145-150
    • Seshadri, G.1    Lin, C.2    Bocarsly, A.B.3
  • 15
    • 84884835001 scopus 로고    scopus 로고
    • Electrochemistry of Aqueous Pyridinium: Exploration of a Key Aspect of Electrocatalytic Reduction of Carbon Dioxide to Methanol
    • Yan, Y.; Zeitler, E. L.; Gu, J.; Hu, Y.; Bocarsly, A. B. Electrochemistry of Aqueous Pyridinium: Exploration of a Key Aspect of Electrocatalytic Reduction of Carbon Dioxide to Methanol J. Am. Chem. Soc. 2013, 135, 14020-14023
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 14020-14023
    • Yan, Y.1    Zeitler, E.L.2    Gu, J.3    Hu, Y.4    Bocarsly, A.B.5
  • 19
    • 84859241055 scopus 로고    scopus 로고
    • 2 Reduction by Ni(cyclam) at a Glassy Carbon Electrode
    • 2 Reduction by Ni(cyclam) at a Glassy Carbon Electrode Inorg. Chem. 2012, 51, 3932-3934
    • (2012) Inorg. Chem. , vol.51 , pp. 3932-3934
    • Froehlich, J.D.1    Kubiak, C.P.2
  • 22
    • 84872103087 scopus 로고    scopus 로고
    • 2 by Pyridine: Proton Relay in Aqueous Solvent and Aromatic Stabilization
    • 2 by Pyridine: Proton Relay in Aqueous Solvent and Aromatic Stabilization J. Am. Chem. Soc. 2013, 135, 142-154
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 142-154
    • Lim, C.-H.1    Holder, A.M.2    Musgrave, C.B.3
  • 26
    • 79953249328 scopus 로고    scopus 로고
    • Electrochemical Hydrogen Adsorption and Absorption. Part 1: Under-Potential Deposition of Hydrogen
    • Jerkiewicz, G. Electrochemical Hydrogen Adsorption and Absorption. Part 1: Under-Potential Deposition of Hydrogen Electrocatalysis 2010, 1, 179-199
    • (2010) Electrocatalysis , vol.1 , pp. 179-199
    • Jerkiewicz, G.1
  • 27
    • 0031551247 scopus 로고    scopus 로고
    • Temperature-Dependent Hydrogen Electrochemistry on Platinum Low-Index Single-Crystal Surfaces in Acid Solutions
    • Marković, N. M.; Grgur, B. N.; Ross, P. N. Temperature-Dependent Hydrogen Electrochemistry on Platinum Low-Index Single-Crystal Surfaces in Acid Solutions J. Phys. Chem. B 1997, 101, 5405-5413
    • (1997) J. Phys. Chem. B , vol.101 , pp. 5405-5413
    • Marković, N.M.1    Grgur, B.N.2    Ross, P.N.3
  • 28
    • 84889254536 scopus 로고    scopus 로고
    • Electrochemistry of Acids on Platinum. Application to the Reduction of Carbon Dioxide in the Presence of Pyridinium Ion in Water
    • 10.1021/ja407988w
    • Costentin, C.; Canales, J. C.; Haddou, B.; Savéant, J.-M. Electrochemistry of Acids on Platinum. Application to the Reduction of Carbon Dioxide in the Presence of Pyridinium Ion in Water J. Am. Chem. Soc. 2013, 10.1021/ja407988w
    • (2013) J. Am. Chem. Soc.
    • Costentin, C.1    Canales, J.C.2    Haddou, B.3    Savéant, J.-M.4
  • 30
    • 84885102778 scopus 로고    scopus 로고
    • Advances in Electronic Structure Theory: GAMESS a Decade Later
    • In; Dykstra, C. Frenking, G. Kim, K. Scuseria, G. Elsevier Science: Amsterdam
    • Gordon, M. S.; Schmidt, M. W. Advances in Electronic Structure Theory: GAMESS a Decade Later. In Theory and Applications of Computational Chemistry: The First Forty Years; Dykstra, C.; Frenking, G.; Kim, K.; Scuseria, G., Eds.; Elsevier Science: Amsterdam, 2005; pp 1167-1189.
    • (2005) Theory and Applications of Computational Chemistry: The First Forty Years , pp. 1167-1189
    • Gordon, M.S.1    Schmidt, M.W.2
  • 31
    • 84890371896 scopus 로고    scopus 로고
    • Unpublished results.
    • Unpublished results.
  • 32
    • 4243553426 scopus 로고
    • Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior
    • Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A 1988, 38, 3098-3100
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 33
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 34
    • 33748545144 scopus 로고
    • The Influence of Polarization Functions on Molecular Orbital Hydrogenation Energies
    • Hariharan, P. C.; Pople, J. A. The Influence of Polarization Functions on Molecular Orbital Hydrogenation Energies Theor. Chim. Acta 1973, 28, 213-222
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213-222
    • Hariharan, P.C.1    Pople, J.A.2
  • 35
    • 33645949559 scopus 로고
    • Self-Consistent Molecular Orbital Methods. XXIII. A Polarization-Type Basis Set for Second-Row Elements
    • Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. Self-Consistent Molecular Orbital Methods. XXIII. A Polarization-Type Basis Set for Second-Row Elements J. Chem. Phys. 1982, 77, 3654-3665
    • (1982) J. Chem. Phys. , vol.77 , pp. 3654-3665
    • Francl, M.M.1    Pietro, W.J.2    Hehre, W.J.3    Binkley, J.S.4    Gordon, M.S.5    Defrees, D.J.6    Pople, J.A.7
  • 36
    • 84944675147 scopus 로고
    • Ab Initio Energy-Adjusted Pseudopotentials for Elements of Groups 13-17
    • Bergner, A.; Dolg, M.; Küchle, W.; Stoll, H.; Preuß, H. Ab Initio Energy-Adjusted Pseudopotentials for Elements of Groups 13-17 Mol. Phys. 1993, 80, 1431-1441
    • (1993) Mol. Phys. , vol.80 , pp. 1431-1441
    • Bergner, A.1    Dolg, M.2    Küchle, W.3    Stoll, H.4    Preuß, H.5
  • 37
    • 33746614482 scopus 로고
    • Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron Through Neon and Hydrogen
    • Dunning, T. H. Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron Through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
    • Dunning, T.H.1
  • 38
    • 3843146349 scopus 로고
    • Gaussian Basis Sets for Use in Correlated Molecular Calculations. III. The Atoms Aluminum Through Argon
    • Woon, D. E.; Dunning, T. H. Gaussian Basis Sets for Use in Correlated Molecular Calculations. III. The Atoms Aluminum Through Argon J. Chem. Phys. 1993, 98, 1358
    • (1993) J. Chem. Phys. , vol.98 , pp. 1358
    • Woon, D.E.1    Dunning, T.H.2
  • 39
    • 84866174680 scopus 로고    scopus 로고
    • Quantum Chemical Benchmarking, Validation, and Prediction of Acidity Constants for Substituted Pyridinium Ions and Pyridinyl Radicals
    • Keith, J. A.; Carter, E. A. Quantum Chemical Benchmarking, Validation, and Prediction of Acidity Constants for Substituted Pyridinium Ions and Pyridinyl Radicals J. Chem. Theory Comput. 2012, 8, 3187-3206
    • (2012) J. Chem. Theory Comput. , vol.8 , pp. 3187-3206
    • Keith, J.A.1    Carter, E.A.2
  • 41
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction
    • Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 42
    • 84961985847 scopus 로고    scopus 로고
    • Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
    • Barone, V.; Cossi, M. Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model J. Phys. Chem. A 1998, 102, 1995-2001
    • (1998) J. Phys. Chem. A , vol.102 , pp. 1995-2001
    • Barone, V.1    Cossi, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.