Density functional theory study of carbon dioxide electrochemical reduction on the Fe(100) surface.
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[1] Thomas F. Jaramillo,et al. New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces , 2012 .
[2] Linus Pauling,et al. The Nature of the Chemical Bond and the Structure of Molecules and Crystals , 1941, Nature.
[3] Y. Hori,et al. Adsorption of CO, intermediately formed in electrochemical reduction of CO2, at a copper electrode , 1991 .
[4] Andrew A. Peterson,et al. Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts , 2012 .
[5] Y. Hori,et al. Formation of hydrocarbons in the electrochemical reduction of carbon dioxide at a copper electrode in aqueous solution , 1990 .
[6] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[7] T. Riedel,et al. Fischer–Tropsch on Iron with H2/CO and H2/CO2 as Synthesis Gases: The Episodes of Formation of the Fischer–Tropsch Regime and Construction of the Catalyst , 2003 .
[8] E. Iglesia,et al. Pathways for CO2 Formation and Conversion During Fischer–Tropsch Synthesis on Iron-Based Catalysts , 2002 .
[9] F. Williams,et al. K and Mn doped iron-based CO2 hydrogenation catalysts: Detection of KAlH4 as part of the catalyst's active phase , 2010 .
[10] D. Lowy,et al. Electrochemical reduction of carbon dioxide on flat metallic cathodes , 1997 .
[11] Toshio Tsukamoto,et al. Electrocatalytic process of CO selectivity in electrochemical reduction of CO2 at metal electrodes in aqueous media , 1994 .
[12] I. Chorkendorff,et al. CO2 Electroreduction on Well-Defined Bimetallic Surfaces: Cu Overlayers on Pt(111) and Pt(211) , 2013 .
[13] A. Asthagiri,et al. Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps. , 2013, Angewandte Chemie.
[14] B. Conway,et al. Determination of the adsorption behaviour of ‘overpotential-deposited’ hydrogen-atom species in the cathodic hydrogen-evolution reaction by analysis of potential-relaxation transients , 1985 .
[15] Tadjeddine,et al. Vibrational spectroscopy of electrochemically deposited hydrogen on platinum. , 1994, Physical review letters.
[16] C. Buess-Herman,et al. Electroreduction of Carbon Dioxide on Copper-Based Electrodes: Activity of Copper Single Crystals and Copper–Gold Alloys , 2012, Electrocatalysis.
[17] I. Snook,et al. Density functional theory study of the relaxation and energy of iron surfaces , 2002 .
[18] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[19] Brian E. Conway,et al. Modern Aspects of Electrochemistry , 1974 .
[20] M. Pijolat,et al. Characterization by Moessbauer spectroscopy of iron carbides formed by Fischer-Tropsch synthesis , 1982 .
[21] K. Burke,et al. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] , 1997 .
[22] Wang,et al. Theory of magnetic and structural ordering in iron. , 1985, Physical review letters.
[23] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[24] J. Snyman,et al. Identification of Eckstrom-Adcock Iron Carbide as Fe7C3 , 1964 .
[25] Chunshan Song,et al. Bimetallic Fe-Co catalysts for CO2 hydrogenation to higher hydrocarbons , 2013 .
[26] K. Pitzer,et al. The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry. , 1960 .
[27] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[28] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[29] J. Niemantsverdriet,et al. Behavior of metallic iron catalysts during Fischer-Tropsch synthesis studied with Mössbauer spectroscopy, X-ray diffraction, carbon content determination, and reaction kinetic measurements , 1980 .
[30] J. J. Retief. Powder diffraction data and Rietveld refinement of Hägg-carbide, χ-Fe5C2 , 1999, Powder Diffraction.
[31] K. Hara,et al. Electrochemical reduction of high pressure carbon dioxide on Fe electrodes at large current density , 1995 .
[32] M. Dry,et al. The Fischer–Tropsch process: 1950–2000 , 2002 .
[33] J. Niemantsverdriet,et al. A density functional theory study on the effect of zero-point energy corrections on the methanation profile on Fe(100). , 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.
[34] H. Jónsson,et al. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode , 2004 .
[35] Y. Hori,et al. Electrochemical Reduction of Carbon Monoxide to Hydrocarbons at Various Metal Electrodes in Aqueous Solution , 1987 .
[36] D. Fruchart,et al. Etudes structurales de compose´s de type ce´mentite: Effet de l'hydroge`ne sur Fe3C suivi par diffraction neutronique. Spectrome´trie Mo¨ssbauer sur FeCo2B et Co3B dope´s au57Fe , 1984 .
[37] Hans Schulz,et al. Selectivity and mechanism of Fischer-Tropsch synthesis with iron and cobalt catalysts , 1994 .
[38] G. Kresse,et al. Ab initio molecular dynamics for liquid metals. , 1993 .
[39] Frederick W. Williams,et al. Heterogeneous catalytic CO2 conversion to value-added hydrocarbons , 2010 .
[40] Y. Hu. Advances in CO2 conversion and utilization , 2010 .
[41] Hans Schulz,et al. Comparative study of Fischer–Tropsch synthesis with H2/CO and H2/CO2 syngas using Fe- and Co-based catalysts , 1999 .
[42] J. Gracia,et al. Mars-van Krevelen-like Mechanism of CO Hydrogenation on an Iron Carbide Surface , 2009 .
[43] A. Beale,et al. Stability and reactivity of ϵ-χ-θ iron carbide catalyst phases in Fischer-Tropsch synthesis: controlling μ(C). , 2010, Journal of the American Chemical Society.
[44] W. Marsden. I and J , 2012 .
[45] S. Ishimaru,et al. Pulsed Electroreduction of CO 2 on Cu‐Ag Alloy Electrodes , 2000 .
[46] H. Monkhorst,et al. SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .
[47] Hafner,et al. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.
[48] J. Butt,et al. Iron alloy Fischer-Tropsch catalysts: III. Conversion dependence of selectivity and water-gas shift , 1981 .
[49] Akira Murata,et al. Electrochemical evidence of intermediate formation of adsorbed CO in cathodic reduction of CO2 at a nickel electrode , 1990 .
[50] M. Dry,et al. Fischer-Tropsch synthesis over iron catalysts , 1990 .
[51] Kevin Barraclough,et al. I and i , 2001, BMJ : British Medical Journal.