Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study
Abstract
Formic acid presents several advantages for use as a fuel in fuel cells. We present a first-principles based analysis of electrooxidation trends for formic acid on the close-packed facets of eight fcc metals: Au, Ag, Cu, Pt, Pd, Ni, Ir, and Rh, and four hcp metals: Co, Os, Ru, and Re. To explore the structure sensitivity of this reaction on the fcc metals, we also studied the open (100) facet of these eight metals. We find that the open facets of Au, Ag, Cu, Pt, and Pd are more energy-efficient (i.e. require less overpotential) for formic acid electrooxidation when compared to their close-packed facets. The opposite is true for the stronger-binding metals: Ni, Ir, and Rh. Using the free energy of adsorbed CO* and OH* as reactivity descriptors, we cast the thermochemistry of the reaction network into phase diagrams showing regions of rate-determining steps, together with their calculated free energies. This allows the identification of bimetallic alloys, potentially possessing improved electrocatalysis for formic acid electrooxidation, compared to Pt or Pd. We discuss the need for anode catalysts for direct formic acid fuel cells (DFAFCs) to diminish CO* poisoning, by promoting the formation of formate instead of carboxyl intermediate.
- Authors:
-
- Univ. of Wisconsin, Madison, WI (United States). Dept. of Chemical and Biological Engineering
- Publication Date:
- Research Org.:
- Univ. of Wisconsin, Madison, WI (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Biological and Environmental Research (BER)
- OSTI Identifier:
- 1494744
- Grant/Contract Number:
- FG02-05ER15731; AC02-06CH11357; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the Electrochemical Society
- Additional Journal Information:
- Journal Volume: 165; Journal Issue: 15; Journal ID: ISSN 0013-4651
- Publisher:
- The Electrochemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; alloys; electroxidation; formic acid
Citation Formats
Elnabawy, Ahmed O., Herron, Jeffrey A., Scaranto, Jessica, and Mavrikakis, Manos. Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study. United States: N. p., 2018.
Web. doi:10.1149/2.0161815jes.
Elnabawy, Ahmed O., Herron, Jeffrey A., Scaranto, Jessica, & Mavrikakis, Manos. Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study. United States. https://doi.org/10.1149/2.0161815jes
Elnabawy, Ahmed O., Herron, Jeffrey A., Scaranto, Jessica, and Mavrikakis, Manos. Sat .
"Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study". United States. https://doi.org/10.1149/2.0161815jes. https://www.osti.gov/servlets/purl/1494744.
@article{osti_1494744,
title = {Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study},
author = {Elnabawy, Ahmed O. and Herron, Jeffrey A. and Scaranto, Jessica and Mavrikakis, Manos},
abstractNote = {Formic acid presents several advantages for use as a fuel in fuel cells. We present a first-principles based analysis of electrooxidation trends for formic acid on the close-packed facets of eight fcc metals: Au, Ag, Cu, Pt, Pd, Ni, Ir, and Rh, and four hcp metals: Co, Os, Ru, and Re. To explore the structure sensitivity of this reaction on the fcc metals, we also studied the open (100) facet of these eight metals. We find that the open facets of Au, Ag, Cu, Pt, and Pd are more energy-efficient (i.e. require less overpotential) for formic acid electrooxidation when compared to their close-packed facets. The opposite is true for the stronger-binding metals: Ni, Ir, and Rh. Using the free energy of adsorbed CO* and OH* as reactivity descriptors, we cast the thermochemistry of the reaction network into phase diagrams showing regions of rate-determining steps, together with their calculated free energies. This allows the identification of bimetallic alloys, potentially possessing improved electrocatalysis for formic acid electrooxidation, compared to Pt or Pd. We discuss the need for anode catalysts for direct formic acid fuel cells (DFAFCs) to diminish CO* poisoning, by promoting the formation of formate instead of carboxyl intermediate.},
doi = {10.1149/2.0161815jes},
journal = {Journal of the Electrochemical Society},
number = 15,
volume = 165,
place = {United States},
year = {2018},
month = {9}
}
Web of Science
Figures / Tables:

Works referenced in this record:
Hydrogen-Evolution Catalysts Based on Non-Noble Metal Nickel-Molybdenum Nitride Nanosheets
journal, May 2012
- Chen, Wei-Fu; Sasaki, Kotaro; Ma, Chao
- Angewandte Chemie International Edition, Vol. 51, Issue 25
Formic acid oxidation reaction on a PdxNiy bimetallic nanoparticle catalyst prepared by a thermal decomposition process using ionic liquids as the solvent
journal, May 2014
- Ding, Keqiang; Liu, Lu; Cao, Yanli
- International Journal of Hydrogen Energy, Vol. 39, Issue 14
Electrocatalysis of formic acid on palladium and platinum surfaces: from fundamental mechanisms to fuel cell applications
journal, January 2014
- Jiang, Kun; Zhang, Han-Xuan; Zou, Shouzhong
- Phys. Chem. Chem. Phys., Vol. 16, Issue 38
Shape-directed platinum nanoparticle synthesis: nanoscale design of novel catalysts: A review of shape-directed platinum nanoparticle synthesis
journal, November 2013
- Leong, G. Jeremy; Schulze, Maxwell C.; Strand, Matthew B.
- Applied Organometallic Chemistry, Vol. 28, Issue 1
Improving Electrocatalysts for O 2 Reduction by Fine-Tuning the Pt−Support Interaction: Pt Monolayer on the Surfaces of a Pd 3 Fe(111) Single-Crystal Alloy
journal, September 2009
- Zhou, Wei-Ping; Yang, Xiaofang; Vukmirovic, Miomir B.
- Journal of the American Chemical Society, Vol. 131, Issue 35
Electrochemical infrared studies of monocrystalline iridium surfaces Part I: Electrooxidation of formic acid and methanol
journal, September 1997
- Gómez, Roberto; Weaver, Michael J.
- Journal of Electroanalytical Chemistry, Vol. 435, Issue 1-2
Bifunctional anode catalysts for direct methanol fuel cells
journal, January 2012
- Rossmeisl, Jan; Ferrin, Peter; Tritsaris, Georgios A.
- Energy & Environmental Science, Vol. 5, Issue 8
From HCOOH to CO at Pd Electrodes: A Surface-Enhanced Infrared Spectroscopy Study
journal, September 2011
- Wang, Jin-Yi; Zhang, Han-Xuan; Jiang, Kun
- Journal of the American Chemical Society, Vol. 133, Issue 38
Electrochemical Versus Heat-Engine Energy Technology: A Tribute to Wilhelm Ostwaldâs Visionary Statements
journal, November 2009
- Kunze, Julia; Stimming, Ulrich
- Angewandte Chemie International Edition, Vol. 48, Issue 49
Technology development for the production of biobased products from biorefinery carbohydrates—the US Department of Energy’s “Top 10” revisited
journal, January 2010
- Bozell, Joseph J.; Petersen, Gene R.
- Green Chemistry, Vol. 12, Issue 4, p. 539-554
Electrocatalytic performance of PdCo–C catalyst for formic acid oxidation
journal, October 2008
- Wang, Xiaoming; Xia, Yongyao
- Electrochemistry Communications, Vol. 10, Issue 10
Direct synthesis of formic acid from carbon dioxide by hydrogenation in acidic media
journal, June 2014
- Moret, Séverine; Dyson, Paul J.; Laurenczy, Gábor
- Nature Communications, Vol. 5, Issue 1
Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
journal, September 2011
- Koper, Marc T. M.
- Journal of Electroanalytical Chemistry, Vol. 660, Issue 2
Oxygen Reduction Reaction on Platinum-Terminated “Onion-structured” Alloy Catalysts
journal, March 2012
- Herron, Jeffrey A.; Jiao, Jiao; Hahn, Konstanze
- Electrocatalysis, Vol. 3, Issue 3-4
Theoretical Study of the Oxidation of Formic Acid on the PtAu(111) Surface in the Continuum Water Solution Phase
journal, November 2012
- Zhong, Wenhui; Wang, Rongyue; Zhang, Dongju
- The Journal of Physical Chemistry C, Vol. 116, Issue 45
On-Line FTIR Spectroscopic Investigations of Methanol Oxidation in a Direct Methanol Fuel Cell
journal, January 1997
- Lin, W. -F.
- Journal of The Electrochemical Society, Vol. 144, Issue 6
Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid
journal, December 2015
- Yoo, Jong Suk; Christensen, Rune; Vegge, Tejs
- ChemSusChem, Vol. 9, Issue 4
Simple model explaining and predicting coverage-dependent atomic adsorption energies on transition metal surfaces
journal, July 2010
- İnoğlu, Nilay; Kitchin, John R.
- Physical Review B, Vol. 82, Issue 4
Different behavior of adsorbed bridge-bonded formate from that of current in the oxidation of formic acid on platinum
journal, January 2014
- Okamoto, Hiroshi; Numata, Yukimasa; Gojuki, Takeshi
- Electrochimica Acta, Vol. 116
Catalysts for direct formic acid fuel cells
journal, April 2003
- Rice, C.
- Journal of Power Sources, Vol. 115, Issue 2
Formic Acid Dehydrogenation on Au-Based Catalysts at Near-Ambient Temperatures
journal, June 2009
- Ojeda, Manuel; Iglesia, Enrique
- Angewandte Chemie International Edition, Vol. 48, Issue 26
Kinetics and Mechanism of the Electrooxidation of Formic Acid—Spectroelectrochemical Studies in a Flow Cell
journal, January 2006
- Chen, Yan Xia; Heinen, Martin; Jusys, Zenonas
- Angewandte Chemie International Edition, Vol. 45, Issue 6
Fundamental aspects of HCOOH oxidation at platinum single crystal surfaces with basal orientations and modified by irreversibly adsorbed adatoms
journal, August 2013
- Boronat-González, A.; Herrero, E.; Feliu, J. M.
- Journal of Solid State Electrochemistry, Vol. 18, Issue 5
Adsorbed formate: the key intermediate in the oxidation of formic acid on platinum electrodes
journal, January 2011
- Cuesta, Angel; Cabello, Gema; Gutiérrez, Claudio
- Physical Chemistry Chemical Physics, Vol. 13, Issue 45
Electroreduction of N 2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments
journal, December 2015
- Abghoui, Younes; Garden, Anna L.; Howalt, Jakob G.
- ACS Catalysis, Vol. 6, Issue 2
Density functional theory in surface chemistry and catalysis
journal, January 2011
- Norskov, J. K.; Abild-Pedersen, F.; Studt, F.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 3
Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition
journal, March 2014
- Yoo, Jong Suk; Abild-Pedersen, Frank; Nørskov, Jens K.
- ACS Catalysis, Vol. 4, Issue 4
The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
journal, May 2004
- Bligaard, T.; Nørskov, J. K.; Dahl, S.
- Journal of Catalysis, Vol. 224, Issue 1
Reactivity descriptors for direct methanol fuel cell anode catalysts
journal, November 2008
- Ferrin, Peter; Nilekar, Anand Udaykumar; Greeley, Jeff
- Surface Science, Vol. 602, Issue 21
Atomic Layer-by-Layer Deposition of Pt on Pd Nanocubes for Catalysts with Enhanced Activity and Durability toward Oxygen Reduction
journal, May 2014
- Xie, Shuifen; Choi, Sang-Il; Lu, Ning
- Nano Letters, Vol. 14, Issue 6
Atomic Layer-by-Layer Deposition of Platinum on Palladium Octahedra for Enhanced Catalysts toward the Oxygen Reduction Reaction
journal, February 2015
- Park, Jinho; Zhang, Lei; Choi, Sang-Il
- ACS Nano, Vol. 9, Issue 3
PdAg Alloy Nanowires: Facile One-Step Synthesis and High Electrocatalytic Activity for Formic Acid Oxidation
journal, December 2011
- Lu, Yizhong; Chen, Wei
- ACS Catalysis, Vol. 2, Issue 1
Recent Development of Pd-Based Electrocatalysts for Proton Exchange Membrane Fuel Cells
journal, July 2015
- Meng, Hui; Zeng, Dongrong; Xie, Fangyan
- Catalysts, Vol. 5, Issue 3
Dimethyl ether electro-oxidation on platinum surfaces
journal, November 2016
- Roling, Luke T.; Herron, Jeffrey A.; Budiman, Winny
- Nano Energy, Vol. 29
Palladium–platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction
journal, July 2015
- Wang, Xue; Choi, Sang-Il; Roling, Luke T.
- Nature Communications, Vol. 6, Issue 1
Ligand effects in heterogeneous catalysis and electrochemistry
journal, May 2007
- Bligaard, T.; Nørskov, J. K.
- Electrochimica Acta, Vol. 52, Issue 18
Structural Effects of Electrochemical Oxidation of Formic Acid on Single Crystal Electrodes of Palladium
journal, June 2006
- Hoshi, Nagahiro; Kida, Kaori; Nakamura, Masashi
- The Journal of Physical Chemistry B, Vol. 110, Issue 25
Shape-controlled metal nanocrystals for catalytic applications
journal, August 2014
- Ruditskiy, Aleksey; Choi, Sang-Il; Peng, Hsin-Chieh
- MRS Bulletin, Vol. 39, Issue 8
Recent Advances in Facile Synthesis of Bimetallic Nanostructures: An Overview
journal, January 2014
- Dehghan Banadaki, Arash; Kajbafvala, Amir
- Journal of Nanomaterials, Vol. 2014
Oxidation of formic acid on the Pt(111) surface in the gas phase
journal, January 2010
- Gao, Wang; Keith, John A.; Anton, Josef
- Dalton Transactions, Vol. 39, Issue 36
Reducing Pt use in the catalysts for formic acid electrooxidation via nanoengineered surface structure
journal, July 2014
- Liao, Mengyin; Wang, Yulu; Chen, Guoqin
- Journal of Power Sources, Vol. 257
Pt-Pd nanoelectrocatalyst of ultralow Pt content for the oxidation of formic acid: Towards tuning the reaction pathway
journal, May 2015
- Ghosh, Sourov; Raj, C. Retna
- Journal of Chemical Sciences, Vol. 127, Issue 5
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Why Capture CO2 from the Atmosphere?
journal, September 2009
- Keith, D. W.
- Science, Vol. 325, Issue 5948
Synthesis and Comparative Study of Nanoporous Palladium-Based Bimetallic Catalysts for Formic Acid Oxidation
journal, December 2014
- Adams, Brian D.; Asmussen, Robert M.; Ostrom, Cassandra K.
- The Journal of Physical Chemistry C, Vol. 118, Issue 51
Electrooxidation of formic acid on gold: An ATR-SEIRAS study of the role of adsorbed formate
journal, March 2013
- Cuesta, Angel; Cabello, Gema; Hartl, Fabian W.
- Catalysis Today, Vol. 202
Catalytic and electro-catalytic oxidation of formic acid on the pure and Cu-modified Pd(111)-surface
journal, May 2008
- Brandt, K.; Steinhausen, M.; Wandelt, K.
- Journal of Electroanalytical Chemistry, Vol. 616, Issue 1-2
The oxidation of formic acid at noble metal electrodes
journal, May 1973
- Capon, Andrew; Parson, Roger
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 44, Issue 1
Structure Sensitivity of Methanol Electrooxidation on Transition Metals
journal, October 2009
- Ferrin, Peter; Mavrikakis, Manos
- Journal of the American Chemical Society, Vol. 131, Issue 40
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Crossover of formic acid through Nafion® membranes
journal, May 2003
- Rhee, Young-Woo; Ha, Su Y.; Masel, Richard I.
- Journal of Power Sources, Vol. 117, Issue 1-2
Bridge-Bonded Formate: Active Intermediate or Spectator Species in Formic Acid Oxidation on a Pt Film Electrode? †
journal, December 2006
- Chen, Y. -X.; Heinen, M.; Jusys, Z.
- Langmuir, Vol. 22, Issue 25
Electrocatalytic oxidation of ethanol and ethylene glycol on cubic, octahedral and rhombic dodecahedral palladium nanocrystals
journal, January 2018
- Ma, Xian-Yin; Chen, Yafeng; Wang, Han
- Chemical Communications, Vol. 54, Issue 20
Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study
journal, November 2014
- Herron, Jeffrey A.; Scaranto, Jessica; Ferrin, Peter
- ACS Catalysis, Vol. 4, Issue 12
Carbon supported platinum–gold alloy catalyst for direct formic acid fuel cells
journal, December 2008
- Xu, J. B.; Zhao, T. S.; Liang, Z. X.
- Journal of Power Sources, Vol. 185, Issue 2
The origin of high activity of Pt–Au surfaces in the formic acid oxidation
journal, December 2009
- Obradović, Maja D.; Tripković, Amalija V.; Gojković, Snežana Lj.
- Electrochimica Acta, Vol. 55, Issue 1
Current Oscillations during Formic Acid Oxidation on a Pt Electrode: Insight into the Mechanism by Time-Resolved IR Spectroscopy
journal, September 2005
- Samjeské, Gabor; Osawa, Masatoshi
- Angewandte Chemie International Edition, Vol. 44, Issue 35
Methoxy methane (dimethyl ether) as an alternative fuel for direct fuel cells
journal, June 2006
- Kerangueven, G.; Coutanceau, C.; Sibert, E.
- Journal of Power Sources, Vol. 157, Issue 1
Preparation and electrochemical characterization of low-index rhodium single crystal electrodes in sulfuric acid
journal, September 2009
- Xu, Qinqin; Linke, Udo; Bujak, Renata
- Electrochimica Acta, Vol. 54, Issue 23
Theoretical Trends in Particle Size Effects for the Oxygen Reduction Reaction
journal, October 2007
- Greeley, J.; Rossmeisl, J.; Hellmann, A.
- Zeitschrift für Physikalische Chemie, Vol. 221, Issue 9-10
The oxidation of formic acid on noble metal electrodes
journal, June 1973
- Capon, Andrew; Parsons, Roger
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 44, Issue 2
Highly active and durable non-precious-metal catalysts encapsulated in carbon nanotubes for hydrogen evolution reaction
journal, January 2014
- Deng, Jiao; Ren, Pengju; Deng, Dehui
- Energy Environ. Sci., Vol. 7, Issue 6
Formic acid electrooxidation on Pd in acidic solutions studied by surface-enhanced infrared absorption spectroscopy
journal, January 2008
- Miyake, Hiroto; Okada, Tatsuhiro; Samjeské, Gabor
- Physical Chemistry Chemical Physics, Vol. 10, Issue 25
Structural and electronic effects in heterogeneous electrocatalysis: Toward a rational design of electrocatalysts
journal, December 2013
- Bandarenka, Aliaksandr S.; Koper, Marc T. M.
- Journal of Catalysis, Vol. 308
Recent advances in direct formic acid fuel cells (DFAFC)
journal, July 2008
- Yu, Xingwen; Pickup, Peter G.
- Journal of Power Sources, Vol. 182, Issue 1, p. 124-132
Direct liquid-feed fuel cells: Thermodynamic and environmental concerns
journal, June 2007
- Demirci, Umit B.
- Journal of Power Sources, Vol. 169, Issue 2
Carbon-Supported Pd−Pt Nanoalloy with Low Pt Content and Superior Catalysis for Formic Acid Electro-oxidation
journal, March 2010
- Zhang, Han-Xuan; Wang, Chao; Wang, Jin-Yi
- The Journal of Physical Chemistry C, Vol. 114, Issue 14
Towards an ammonia-mediated hydrogen economy?
journal, January 2006
- Christensen, Claus Hviid; Johannessen, Tue; Sørensen, Rasmus Zink
- Catalysis Today, Vol. 111, Issue 1-2
First-principles computational electrochemistry: Achievements and challenges
journal, December 2012
- Calle-Vallejo, Federico; Koper, Marc T. M.
- Electrochimica Acta, Vol. 84
Structural effects in electrocatalysis
journal, July 1983
- Lamy, C.; Leger, J. M.; Clavilier, J.
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 150, Issue 1-2
The electrodeposition of rhenium species at the sub-monolayer level on a platinum electrode and its effect on formic acid electrooxidation
journal, October 1989
- Schrebler, R.; Gómez, H.; Córdova, R.
- Electrochimica Acta, Vol. 34, Issue 10
The ensemble effect of formic acid oxidation on platinum–gold electrode studied by first-principles calculations
journal, March 2015
- Zhong, Wenhui; Qi, Yuanyuan; Deng, Mingsen
- Journal of Power Sources, Vol. 278
Core-Protected Platinum Monolayer Shell High-Stability Electrocatalysts for Fuel-Cell Cathodes
journal, October 2010
- Sasaki, Kotaro; Naohara, Hideo; Cai, Yun
- Angewandte Chemie International Edition, Vol. 49, Issue 46, p. 8602-8607
Application of In-situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy for the Understanding of Complex Reaction Mechanism and Kinetics: Formic Acid Oxidation on a Pt Film Electrode at Elevated Temperatures
journal, May 2006
- Chen, Yan Xia; Ye, Shen; Heinen, Martin
- The Journal of Physical Chemistry B, Vol. 110, Issue 19
The Priority and Challenge of High-Power Performance of Low-Platinum Proton-Exchange Membrane Fuel Cells
journal, March 2016
- Kongkanand, Anusorn; Mathias, Mark F.
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 7
Electrocatalytic Oxidation of Ammonia on Transition-Metal Surfaces: A First-Principles Study
journal, February 2015
- Herron, Jeffrey A.; Ferrin, Peter; Mavrikakis, Manos
- The Journal of Physical Chemistry C, Vol. 119, Issue 26
A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects
journal, April 2015
- Choi, Sang-Il; Herron, Jeffrey A.; Scaranto, Jessica
- ChemCatChem, Vol. 7, Issue 14
Composition-Dependent Electrocatalytic Activity of Palladium–Iridium Binary Alloy Nanoparticles Supported on the Multiwalled Carbon Nanotubes for the Electro-Oxidation of Formic Acid
journal, July 2015
- Bao, Jianming; Dou, Meiling; Liu, Haijing
- ACS Applied Materials & Interfaces, Vol. 7, Issue 28
Potential Oscillations in Galvanostatic Electrooxidation of Formic Acid on Platinum: A Time-Resolved Surface-Enhanced Infrared Study
journal, December 2005
- Samjeské, Gabor; Miki, Atsushi; Ye, Shen
- The Journal of Physical Chemistry B, Vol. 109, Issue 49
Ultrasonic-assisted synthesis of Pd–Ni alloy catalysts supported on multi-walled carbon nanotubes for formic acid electrooxidation
journal, July 2011
- Li, Ruoshi; Wei, Zhen; Huang, Tao
- Electrochimica Acta, Vol. 56, Issue 19
Universality in Heterogeneous Catalysis
journal, July 2002
- Nørskov, J. K.; Bligaard, T.; Logadottir, A.
- Journal of Catalysis, Vol. 209, Issue 2
Near-surface alloys for hydrogen fuel cell applications
journal, January 2006
- Greeley, Jeff; Mavrikakis, Manos
- Catalysis Today, Vol. 111, Issue 1-2, p. 52-58
On the Structure Sensitivity of Dimethyl Ether Electro-oxidation on Eight FCC Metals: A First-Principles Study
journal, September 2015
- Herron, Jeffrey A.; Ferrin, Peter; Mavrikakis, Manos
- Topics in Catalysis, Vol. 58, Issue 18-20
Importance of Acid–Base Equilibrium in Electrocatalytic Oxidation of Formic Acid on Platinum
journal, June 2013
- Joo, Jiyong; Uchida, Taro; Cuesta, Angel
- Journal of the American Chemical Society, Vol. 135, Issue 27
Density functional theory studies of HCOOH decomposition on Pd(111)
journal, August 2016
- Scaranto, Jessica; Mavrikakis, Manos
- Surface Science, Vol. 650
Electrocatalytic properties of carbon-supported Pt-Ru catalysts with the high alloying degree for formic acid electrooxidation
journal, July 2010
- Chen, Yu; Zhou, Yiming; Tang, Yawen
- Journal of Power Sources, Vol. 195, Issue 13
New insight into the CO formation mechanism during formic acid oxidation on Pt(111)
journal, December 2012
- Zhong, Wenhui; Zhang, Dongju
- Catalysis Communications, Vol. 29
Infrared spectroscopic study of methanol and formic acid absorbates on a platinum electrode: Part II. Role of the linear CO(a) derived from methanol and formic acid in the electrocatalytic oxidation of CH3OH and HCOOH
journal, February 1987
- Kunimatsu, K.; Kita, H.
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 218, Issue 1-2, p. 155-172
Stable ultrathin partially oxidized copper film electrode for highly efficient flexible solar cells
journal, November 2015
- Zhao, Guoqing; Wang, Wei; Bae, Tae-Sung
- Nature Communications, Vol. 6, Issue 1
Platinum monolayer electrocatalysts for oxygen reduction
journal, January 2007
- Vukmirovic, M. B.; Zhang, J.; Sasaki, K.
- Electrochimica Acta, Vol. 52, Issue 6
In situ infrared reflectance spectroscopic study of the adsorption of formic acid at a rhodium electrode
journal, June 1986
- Hahn, Françoise; Beden, Bernard; Lamy, Claude
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 204, Issue 1-2
Catalyst Design by Interpolation in the Periodic Table: Bimetallic Ammonia Synthesis Catalysts
journal, August 2001
- Jacobsen, Claus J. H.; Dahl, Søren; Clausen, Bjerne S.
- Journal of the American Chemical Society, Vol. 123, Issue 34
Hydrogen-storage materials for mobile applications
journal, November 2001
- Schlapbach, Louis; Züttel, Andreas
- Nature, Vol. 414, Issue 6861
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design
journal, January 2015
- Abghoui, Younes; Garden, Anna L.; Hlynsson, Valtýr Freyr
- Physical Chemistry Chemical Physics, Vol. 17, Issue 7
Towards operating direct methanol fuel cells with highly concentrated fuel
journal, June 2010
- Zhao, T. S.; Yang, W. W.; Chen, R.
- Journal of Power Sources, Vol. 195, Issue 11
PdM nanoparticles (M = Ni, Co, Fe, Mn) with high activity and stability in formic acid oxidation synthesized by sonochemical reactions
journal, September 2014
- Matin, Md. Abdul; Jang, Ji-Hoon; Kwon, Young-Uk
- Journal of Power Sources, Vol. 262
Reproducibility in density functional theory calculations of solids
journal, March 2016
- Lejaeghere, K.; Bihlmayer, G.; Bjorkman, T.
- Science, Vol. 351, Issue 6280
Formic acid decomposition on Au catalysts: DFT, microkinetic modeling, and reaction kinetics experiments
journal, February 2014
- Singh, Suyash; Li, Sha; Carrasquillo-Flores, Ronald
- AIChE Journal, Vol. 60, Issue 4
Metal monolayer deposition by replacement of metal adlayers on electrode surfaces
journal, March 2001
- Brankovic, S. R.; Wang, J. X.; Adžić, R. R.
- Surface Science, Vol. 474, Issue 1-3, p. L173-L179
First-Principles Mechanistic Analysis of Dimethyl Ether Electro-Oxidation on Monometallic Single-Crystal Surfaces
journal, September 2014
- Herron, Jeffrey A.; Ferrin, Peter; Mavrikakis, Manos
- The Journal of Physical Chemistry C, Vol. 118, Issue 42
Intermetallic Alloys as CO Electroreduction Catalysts—Role of Isolated Active Sites
journal, May 2014
- Karamad, Mohammadreza; Tripkovic, Vladimir; Rossmeisl, Jan
- ACS Catalysis, Vol. 4, Issue 7
High-temperature passive direct methanol fuel cells operating with concentrated fuels
journal, January 2015
- Zhao, Xuxin; Yuan, Wenxiang; Wu, Qixing
- Journal of Power Sources, Vol. 273
Adsorption and electro-oxidation of carbon monoxide, methanol, ethanol and formic acid on osmium electrodeposited on glassy carbon
journal, April 2000
- Orozco, G.; Gutiérrez, C.
- Journal of Electroanalytical Chemistry, Vol. 484, Issue 1
Tuning Reaction Rates by Lateral Strain in a Palladium Monolayer
journal, March 2005
- Kibler, Ludwig A.; El-Aziz, Ahmed M.; Hoyer, R�diger
- Angewandte Chemie International Edition, Vol. 44, Issue 14
Electrocatalysis by foreign metal monolayers
journal, September 1978
- Adić, Radoslav R.; Spasojević, Miroslav D.; Despić, Aleksandar R.
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 92, Issue 1
Formic Acid Oxidation in a Polymer Electrolyte Fuel Cell
journal, January 1996
- Weber, M.
- Journal of The Electrochemical Society, Vol. 143, Issue 7
Green synthesis of PdCu supported on graphene/polyoxometalate LBL films for high-performance formic acid oxidation
journal, January 2015
- Ma, Ai; Zhang, Xiaofeng; Wang, Xiaoying
- RSC Advances, Vol. 5, Issue 79
The Role of Bridge-Bonded Adsorbed Formate in the Electrocatalytic Oxidation of Formic Acid on Platinum
journal, December 2010
- Osawa, Masatoshi; Komatsu, Kei-ichi; Samjeské, Gabor
- Angewandte Chemie International Edition, Vol. 50, Issue 5
Computational chemistry for NH3 synthesis, hydrotreating, and NO reduction: Three topics of special interest to Haldor Topsøe
journal, August 2015
- Elnabawy, Ahmed O.; Rangarajan, Srinivas; Mavrikakis, Manos
- Journal of Catalysis, Vol. 328
Composition-Dependent Electrocatalytic Activity of Pt-Cu Nanocube Catalysts for Formic Acid Oxidation
journal, January 2010
- Xu, Dan; Bliznakov, Stoyan; Liu, Zhaoping
- Angewandte Chemie International Edition, Vol. 49, Issue 7
Electrocatalytic Oxidation of Formaldehyde on Platinum under Galvanostatic and Potential Sweep Conditions Studied by Time-Resolved Surface-Enhanced Infrared Spectroscopy
journal, September 2007
- Samjeské,, Gabor; Miki, Atsushi; Osawa, Masatoshi
- The Journal of Physical Chemistry C, Vol. 111, Issue 41
In situ infrared spectroscopic investigations of sulfate adsorption at the Ag(111) electrode surface
journal, June 1999
- Marinković, N. S.; Marinković, J. S.; Adžić, R. R.
- Journal of Electroanalytical Chemistry, Vol. 467, Issue 1-2
Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations
journal, May 2007
- Greeley, J.; Nørskov, J. K.
- Electrochimica Acta, Vol. 52, Issue 19
Mechanistic Study of Electrocatalytic Oxidation of Formic Acid at Platinum in Acidic Solution by Time-Resolved Surface-Enhanced Infrared Absorption Spectroscopy
journal, August 2006
- Samjeské, Gabor; Miki, Atsushi; Ye, Shen
- The Journal of Physical Chemistry B, Vol. 110, Issue 33
Electrocatalysis by design: Enhanced electrooxidation of formic acid at platinum nanoparticles–nickel oxide nanoparticles binary catalysts
journal, April 2013
- El-Nagar, Gumaa A.; Mohammad, Ahmad M.; El-Deab, Mohamed S.
- Electrochimica Acta, Vol. 94
Exceptional Size-Dependent Activity Enhancement in the Electroreduction of CO 2 over Au Nanoparticles
journal, November 2014
- Mistry, Hemma; Reske, Rulle; Zeng, Zhenhua
- Journal of the American Chemical Society, Vol. 136, Issue 47
Kinetic Isotope Effects in Complex Reaction Networks: Formic Acid Electro-Oxidation
journal, February 2007
- Chen, Yan-Xia; Heinen, Martin; Jusys, Zenonas
- ChemPhysChem, Vol. 8, Issue 3
Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory
journal, January 2007
- Karlberg, G. S.; Rossmeisl, J.; Nørskov, J. K.
- Physical Chemistry Chemical Physics, Vol. 9, Issue 37
Theoretical means for searching bimetallic alloys as anode electrocatalysts for direct liquid-feed fuel cells
journal, November 2007
- Demirci, Umit B.
- Journal of Power Sources, Vol. 173, Issue 1
Theoretical Elucidation of the Competitive Electro-oxidation Mechanisms of Formic Acid on Pt(111)
journal, December 2010
- Gao, Wang; Keith, John A.; Anton, Josef
- Journal of the American Chemical Society, Vol. 132, Issue 51
Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces
journal, July 2008
- Nilekar, Anand Udaykumar; Mavrikakis, Manos
- Surface Science, Vol. 602, Issue 14
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
journal, July 2007
- Abild-Pedersen, F.; Greeley, J.; Studt, F.
- Physical Review Letters, Vol. 99, Issue 1
Mechanism of the Electrocatalytic Oxidation of Formic Acid on Metals
journal, March 2012
- Cuesta, Angel; Cabello, Gema; Osawa, Masatoshi
- ACS Catalysis, Vol. 2, Issue 5
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations
journal, June 2015
- Montoya, Joseph H.; Tsai, Charlie; Vojvodic, Aleksandra
- ChemSusChem, Vol. 8, Issue 13
Insights into the Preference of CO 2 Formation from HCOOH Decomposition on Pd Surface: A Theoretical Study
journal, October 2012
- Zhang, Riguang; Liu, Hongyan; Wang, Baojun
- The Journal of Physical Chemistry C, Vol. 116, Issue 42
Tuning the Catalytic Activity of Ru@Pt Core–Shell Nanoparticles for the Oxygen Reduction Reaction by Varying the Shell Thickness
journal, January 2013
- Yang, Lijun; Vukmirovic, Miomir B.; Su, Dong
- The Journal of Physical Chemistry C, Vol. 117, Issue 4
HCOOH decomposition on Pt(111): A DFT study
journal, June 2016
- Scaranto, Jessica; Mavrikakis, Manos
- Surface Science, Vol. 648
Correlations in coverage-dependent atomic adsorption energies on Pd(111)
journal, May 2009
- Kitchin, John R.
- Physical Review B, Vol. 79, Issue 20
CO Adsorption Behavior on Decorated Pt@Au Nanoelectrocatalysts: A Combined Experimental and DFT Theoretical Calculation Study
journal, January 2012
- Yu, Yaolun; Lim, Kok Hwa; Wang, Jing Yuan
- The Journal of Physical Chemistry C, Vol. 116, Issue 5
Formic Acid Electrooxidation on Platinum-Group Metals: Is Adsorbed Carbon Monoxide Solely a Catalytic Poison?
journal, October 2000
- Mrozek, Melissa F.; Luo, Hai; Weaver, Michael J.
- Langmuir, Vol. 16, Issue 22
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
journal, November 2004
- Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.
- The Journal of Physical Chemistry B, Vol. 108, Issue 46
On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts
journal, August 2016
- Li, Sha; Scaranto, Jessica; Mavrikakis, Manos
- Topics in Catalysis, Vol. 59, Issue 17-18
Facile Synthesis of Gold-Modified Platinum Catalysts with High Performance for Formic Acid Electro-oxidation
journal, November 2014
- Zhang, Ke; Ren, Fangfang; Wang, Huiwen
- ChemPlusChem, Vol. 80, Issue 3
Formic acid oxidation at palladium electrode in acidic media containing chloride anions: An in situ ATR-SEIRAS investigation
journal, September 2017
- Jiang, Kun; Wang, Jin-Yi; Zhao, Ting-Ting
- Journal of Electroanalytical Chemistry, Vol. 800
Potential Oscillations in Galvanostatic Electrooxidation of Formic Acid on Platinum: A Mathematical Modeling and Simulation
journal, June 2006
- Mukouyama, Yoshiharu; Kikuchi, Mitsunobu; Samjeské, Gabor
- The Journal of Physical Chemistry B, Vol. 110, Issue 24
Theoretical insight on reactivity trends in CO 2 electroreduction across transition metals
journal, January 2016
- Akhade, Sneha A.; Luo, Wenjia; Nie, Xiaowa
- Catalysis Science & Technology, Vol. 6, Issue 4
One-Pot Synthesis of Pt-Co Alloy Nanowire Assemblies with Tunable Composition and Enhanced Electrocatalytic Properties
journal, January 2015
- Xia, Bao Yu; Wu, Hao Bin; Li, Nan
- Angewandte Chemie International Edition, Vol. 54, Issue 12
Ultrathin AgPt alloy nanowires as a high-performance electrocatalyst for formic acid oxidation
journal, June 2017
- Jiang, Xian; Fu, Gengtao; Wu, Xia
- Nano Research, Vol. 11, Issue 1
The Role of Bridge-Bonded Adsorbed Formate in the Electrocatalytic Oxidation of Formic Acid on Platinum
journal, December 2010
- Osawa, Masatoshi; Komatsu, Kei-ichi; Samjeské, Gabor
- Angewandte Chemie, Vol. 123, Issue 5
Hydrogen-Evolution Catalysts Based on Non-Noble Metal Nickel-Molybdenum Nitride Nanosheets
journal, May 2012
- Chen, Wei-Fu; Sasaki, Kotaro; Ma, Chao
- Angewandte Chemie, Vol. 124, Issue 25
One-Pot Synthesis of Pt-Co Alloy Nanowire Assemblies with Tunable Composition and Enhanced Electrocatalytic Properties
journal, February 2015
- Xia, Bao Yu; Wu, Hao Bin; Li, Nan
- Angewandte Chemie, Vol. 127, Issue 12
Structural effects in electrocatalysis
journal, September 1991
- Popović, K. Dj.; Marković, N. M.; Tripković, A. V.
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 313, Issue 1-2
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Current Oscillations during Formic Acid Oxidation on a Pt Electrode: Insight into the Mechanism by Time-Resolved IR Spectroscopy
journal, September 2005
- Samjeské, Gabor; Osawa, Masatoshi
- Angewandte Chemie, Vol. 117, Issue 35
Structural effects in electrocatalysis
journal, August 1991
- Marković, N. M.; Avramov-Ivić, M. L.; Marinković, N. S.
- Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 312, Issue 1-2
Composition-Dependent Electrocatalytic Activity of Pt-Cu Nanocube Catalysts for Formic Acid Oxidation
journal, February 2010
- Xu, Dan; Bliznakov, Stoyan; Liu, Zhaoping
- Angewandte Chemie, Vol. 122, Issue 7
Works referencing / citing this record:
Towards more active and stable PdAgCr electrocatalysts for formic acid electrooxidation: The role of optimization via response surface methodology
journal, September 2019
- Ulas, Berdan; Caglar, Aykut; Yılmaz, Sakir
- International Journal of Energy Research, Vol. 43, Issue 15
Electrocatalytic Activities towards the Electrochemical Oxidation of Formic Acid and Oxygen Reduction Reactions over Bimetallic, Trimetallic and Core–Shell-Structured Pd-Based Materials
journal, March 2019
- Gunji, Takao; Matsumoto, Futoshi
- Inorganics, Vol. 7, Issue 3
Determination of optimum Pd:Ni ratio for Pd x Ni 100‐ x / CNT s formic acid electrooxidation catalysts synthesized via sodium borohydride reduction method
journal, March 2019
- Ulas, Berdan; Caglar, Aykut; Kivrak, Hilal
- International Journal of Energy Research, Vol. 43, Issue 8