Coadsorption of Formic Acid and Hydrazine on Cu(110) Single-Crystal Surfaces

Yao, Yunxi; Guerrero-Sánchez, Jonathan; Takeuchi, Noboru; Zaera, Francisco

doi:10.1021/acs.jpcc.8b01804

Coadsorption of Formic Acid and Hydrazine on Cu(110) Single-Crystal Surfaces

Journal Article · Mon May 14 00:00:00 EDT 2018 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.8b01804· OSTI ID:1593408

Yao, Yunxi ^[1]; Guerrero-Sánchez, Jonathan ^[2]; Takeuchi, Noboru ^[3]; ^[4]

Univ. of California, Riverside, CA (United States). Dept. of Chemistry; University of California
Nacional Autonoma de Mexico (UNAM), Baja California (Mexico). Centro de Nanociencias y Nanotecnología
Univ. of California, Riverside, CA (United States); Nacional Autonoma de Mexico (UNAM), Baja California (Mexico). Centro de Nanociencias y Nanotecnología
Univ. of California, Riverside, CA (United States). Dept. of Chemistry

The chemistry of coadsorbed formic acid and hydrazine on Cu(110) surfaces was characterized both experimentally, by temperature programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS), and theoretically, via density functional theory (DFT) calculations. It was found that the two reactants interact with each other via hydrogen bonds, and that this modifies their individual thermal chemistry on the surface in two main ways: by stabilizing a HCOOH:N₂H₄ adduct, which desorbs molecularly at around 240 K, and by slightly delaying the decomposition of the hydrazine to higher temperatures and shifting the selectivity of that step from dehydrogenation and formation of N₂H_x(ads) species to scission of the N–N bond and ammonia production. The coadsorbed formic acid was determined to react at higher temperatures than hydrazine, in chemistry not affected by the latter, which is no longer present on the surface at that stage. One interesting aspect of this chemistry revealed by the DFT calculations is that formic acid may preferentially H-bond on top of adsorbed hydrazine rather than directly attach to the copper surface. The implications of these results to atomic layer deposition (ALD) processes are discussed.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Riverside, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0001839

OSTI ID:: 1593408

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 13 Vol. 123; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (64)

Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Proton migrations in associates of two molecules of formic acid with one molecule of hydrazine or hydrogen peroxide Minyaev, R. M. Russian Chemical Bulletin, Vol. 45, Issue 11 https://doi.org/10.1007/BF01431101	journal	November 1996
Behavior of Adsorbed Formate in the Presence of Gaseous Formic Acid on Cu(110) Inoue, Kenichiro; Wakabayashi, Fumitaka; Domen, Kazunari Catalysis Letters, Vol. 142, Issue 10 https://doi.org/10.1007/s10562-012-0878-1	journal	August 2012
On the Temperature Programmed Desorption of Hydrogen from Polycrystalline Copper Fichtl, Matthias B.; Hinrichsen, Olaf Catalysis Letters, Vol. 144, Issue 12 https://doi.org/10.1007/s10562-014-1384-4	journal	October 2014
Advances of Ag, Cu, and Ag–Cu alloy nanoparticles synthesized via chemical reduction route Tan, Kim Seah; Cheong, Kuan Yew Journal of Nanoparticle Research, Vol. 15, Issue 4 https://doi.org/10.1007/s11051-013-1537-1	journal	March 2013
Preparation, characterization and catalytic activity of biomaterial-supported copper nanoparticles Musa, Aminu; Ahmad, Mansor B.; Hussein, Mohd Zobir Research on Chemical Intermediates, Vol. 43, Issue 2 https://doi.org/10.1007/s11164-016-2665-x	journal	August 2016
Thermal desorption study of formic acid decomposition on a clean Cu(110) surface Ying, D. Journal of Catalysis, Vol. 61, Issue 1 https://doi.org/10.1016/0021-9517(80)90338-3	journal	January 1980
The interaction of hydrazine with an Fe(111) surface Grunze, M. Surface Science, Vol. 81, Issue 2 https://doi.org/10.1016/0039-6028(79)90123-7	journal	March 1979
XPS, UPS and thermal desorption studies of the reactions of formaldehyde and formic acid with the Cu(110) surface Bowker, M.; Madix, R. J. Surface Science, Vol. 102, Issue 2-3 https://doi.org/10.1016/0039-6028(81)90045-5	journal	January 1981
Reactive scattering of small molecules from platinum crystal surfaces: D2CO, CH3OH, HCOOH, and the nonanomalous kinetics of hydrogen atom recombination Gdowski, G. E.; Fair, J. A.; Madix, R. J. Surface Science, Vol. 127, Issue 3 https://doi.org/10.1016/0039-6028(83)90046-8	journal	May 1983
Hydrazine adsorption and the coadsorption of CO and D2 with nitrogen atoms on Rh(100) Daniel, W. M.; White, J. M. Surface Science, Vol. 171, Issue 2 https://doi.org/10.1016/0039-6028(86)91082-4	journal	May 1986
Adsorption and desorption kinetics in the systems H2/Cu(111), H2/Cu(110) and H2/Cu(100) Anger, G.; Winkler, A.; Rendulic, K. D. Surface Science, Vol. 220, Issue 1 https://doi.org/10.1016/0039-6028(89)90459-7	journal	October 1989
Adsorption and reaction of HCOOH on doped Cu(110): coadsorption with cesium, oxygen, and Csa + Oa Henn, Frederic C.; Rodriguez, Jose A.; Campbell, Charles T. Surface Science, Vol. 236, Issue 3 https://doi.org/10.1016/0039-6028(90)90475-N	journal	October 1990
Surface chemistry of hydrazine on Pt(111) Alberas, Diann J.; Kiss, J.; Liu, Z. -M. Surface Science, Vol. 278, Issue 1-2 https://doi.org/10.1016/0039-6028(92)90583-R	journal	November 1992
H/Cu(110) : kinetics of reconstruction and de-reconstruction Rohwerder, Michael; Benndorf, Carsten Surface Science, Vol. 307-309 https://doi.org/10.1016/0039-6028(94)91493-1	journal	April 1994
The adsorption and decomposition of formic acid on Cu {110} Bowker, M.; Rowbotham, E.; Leibsle, F. M. Surface Science, Vol. 349, Issue 2 https://doi.org/10.1016/0039-6028(95)01069-6	journal	April 1996
Thermal reactivity of metal formate hydrazinates Ravindranathan, P.; Patil, K. C. Thermochimica Acta, Vol. 71, Issue 1-2 https://doi.org/10.1016/0040-6031(83)80354-2	journal	December 1983
Adsorption of hydrazine and ammonia on aluminium Johnson, D. W.; Roberts, M. W. Journal of Electron Spectroscopy and Related Phenomena, Vol. 19, Issue 2 https://doi.org/10.1016/0368-2048(80)87001-0	journal	January 1980
An STM investigation of formic acid adsorption on oxygen precovered Cu(110) Poulston, S.; Jones, A.; Bennett, R. A. Surface Science, Vol. 377-379 https://doi.org/10.1016/S0039-6028(96)01354-4	journal	April 1997
The oxidation of formic acid to carbonate at Cu(110) surfaces Carley, Albert F.; Davies, Philip R.; Mariotti, Gregorio G. Surface Science, Vol. 401, Issue 3 https://doi.org/10.1016/S0039-6028(98)00046-6	journal	April 1998
Key factors in chemical reduction by hydrazine for recovery of precious metals Chen, J. Paul; Lim, L. L. Chemosphere, Vol. 49, Issue 4 https://doi.org/10.1016/S0045-6535(02)00305-3	journal	October 2002
Decomposition mechanism of formic acid on Cu (111) surface: A theoretical study Jiang, Zhao; Qin, Pei; Fang, Tao Applied Surface Science, Vol. 396 https://doi.org/10.1016/j.apsusc.2016.11.042	journal	February 2017
Mechanisms of surface reactions in thin solid film chemical deposition processes Zaera, Francisco Coordination Chemistry Reviews, Vol. 257, Issue 23-24 https://doi.org/10.1016/j.ccr.2013.04.006	journal	December 2013
Study of nickel nanoparticles supported on activated carbon prepared by aqueous hydrazine reduction Wojcieszak, R.; Zieliński, M.; Monteverdi, S. Journal of Colloid and Interface Science, Vol. 299, Issue 1 https://doi.org/10.1016/j.jcis.2006.01.067	journal	July 2006
Reduction crystallization of Ni, Cu, Fe and Co from a mixed metal effluent Phetla, T. P.; Ntuli, F.; Muzenda, E. Journal of Industrial and Engineering Chemistry, Vol. 18, Issue 3 https://doi.org/10.1016/j.jiec.2012.01.008	journal	May 2012
Principles of precursor design for vapour deposition methods Koponen, Sara E.; Gordon, Peter G.; Barry, Seán T. Polyhedron, Vol. 108 https://doi.org/10.1016/j.poly.2015.08.024	journal	March 2016
Formic acid adsorption and oxidation on Cu(110) Youngs, T. G. A.; Haq, S.; Bowker, M. Surface Science, Vol. 602, Issue 10 https://doi.org/10.1016/j.susc.2008.03.013	journal	May 2008
Adsorption and thermal chemistry of formic acid on clean and oxygen-predosed Cu(110) single-crystal surfaces revisited Yao, Yunxi; Zaera, Francisco Surface Science, Vol. 646 https://doi.org/10.1016/j.susc.2015.06.007	journal	April 2016
Thermal chemistry of hydrazine on clean and oxygen- and water-predosed Cu(110) single-crystal surfaces Yao, Yunxi; Zaera, Francisco Surface Science, Vol. 650 https://doi.org/10.1016/j.susc.2015.08.034	journal	August 2016
The Chemistry of Inorganic Precursors during the Chemical Deposition of Films on Solid Surfaces Barry, Seán T.; Teplyakov, Andrew V.; Zaera, Francisco Accounts of Chemical Research, Vol. 51, Issue 3 https://doi.org/10.1021/acs.accounts.8b00012	journal	February 2018
Recent Progress in Heterogeneous Asymmetric Hydrogenation of C═O and C═C Bonds on Supported Noble Metal Catalysts Meemken, Fabian; Baiker, Alfons Chemical Reviews, Vol. 117, Issue 17 https://doi.org/10.1021/acs.chemrev.7b00272	journal	September 2017
Surface Chemistry of Alanine on Ni{111} Nicklin, Richard E. J.; Cornish, Alix; Shavorskiy, Andrey The Journal of Physical Chemistry C, Vol. 119, Issue 47 https://doi.org/10.1021/acs.jpcc.5b08814	journal	November 2015
Low Temperature Growth of High Purity, Low Resistivity Copper Films by Atomic Layer Deposition Knisley, Thomas J.; Ariyasena, Thiloka C.; Sajavaara, Timo Chemistry of Materials, Vol. 23, Issue 20 https://doi.org/10.1021/cm202475e	journal	October 2011
Atomic Layer Deposition of Noble Metals and Their Oxides Hämäläinen, Jani; Ritala, Mikko; Leskelä, Markku Chemistry of Materials, Vol. 26, Issue 1 https://doi.org/10.1021/cm402221y	journal	September 2013
Atomic Layer Deposition: An Overview George, Steven M. Chemical Reviews, Vol. 110, Issue 1, p. 111-131 https://doi.org/10.1021/cr900056b	journal	January 2010
Mechanism of Methanol Synthesis on Cu through CO ₂ and CO Hydrogenation Grabow, L. C.; Mavrikakis, M. ACS Catalysis, Vol. 1, Issue 4 https://doi.org/10.1021/cs200055d	journal	February 2011
A Generalized Two-Point H-Bonding Model for Catalytic Stereoselective Hydrogenation of Activated Ketones on Chirally Modified Platinum Lavoie, Stéphane; Laliberté,, Marc-André; Temprano, Israel Journal of the American Chemical Society, Vol. 128, Issue 23 https://doi.org/10.1021/ja060504i	journal	June 2006
Structure-Dependent Kinetics for Synthesis and Decomposition of Formate Species over Cu(111) and Cu(110) Model Catalysts Nakano, Haruhisa; Nakamura, Isao; Fujitani, Tadahiro The Journal of Physical Chemistry B, Vol. 105, Issue 7 https://doi.org/10.1021/jp002644z	journal	February 2001
Effect of Coadsorbed Oxygen on the Chemistry of Ammonia over Ni(110) Single-Crystal Surfaces Guo, Hansheng; Chrysostomou, Demetrius; Flowers, Jefferson The Journal of Physical Chemistry B, Vol. 107, Issue 2 https://doi.org/10.1021/jp026530u	journal	January 2003
Self-Assembly at the Liquid/Solid Interface: STM Reveals De Feyter, Steven; De Schryver, Frans C. The Journal of Physical Chemistry B, Vol. 109, Issue 10 https://doi.org/10.1021/jp045298k	journal	March 2005
Structures of Glycine, Enantiopure Alanine, and Racemic Alanine Adlayers on Cu(110) and Cu(100) Surfaces Rankin, Rees B.; Sholl, David S. The Journal of Physical Chemistry B, Vol. 109, Issue 35 https://doi.org/10.1021/jp0535700	journal	September 2005
X-ray-Initiated Metal-Promoted Thin Film Growth Kim, Taeseung; Zaera, Francisco The Journal of Physical Chemistry C, Vol. 116, Issue 15 https://doi.org/10.1021/jp2123339	journal	April 2012
Formation of Chiral Self-Assembled Structures of Amino Acids on Transition-Metal Surfaces: Alanine on Pd(111) Mahapatra, Mausumi; Burkholder, Luke; Bai, Yun The Journal of Physical Chemistry C, Vol. 118, Issue 13 https://doi.org/10.1021/jp412651j	journal	March 2014
Density Functional Theory Study of the Adsorption of Hydrazine on the Perfect and Defective Copper (100), (110), and (111) Surfaces Tafreshi, Saeedeh S.; Roldan, Alberto; de Leeuw, Nora H. The Journal of Physical Chemistry C, Vol. 118, Issue 45 https://doi.org/10.1021/jp5078664	journal	October 2014
Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Precursors Zhao, Jun; Khalizov, Alexei; Zhang, Renyi The Journal of Physical Chemistry A, Vol. 113, Issue 4 https://doi.org/10.1021/jp806693r	journal	January 2009
Density Functional Theory Calculations of the Interaction of Hydrazine with Low-Index Copper Surfaces Daff, Thomas D.; Costa, Dominique; Lisiecki, Isabelle The Journal of Physical Chemistry C, Vol. 113, Issue 35 https://doi.org/10.1021/jp904054n	journal	August 2009
The Surface Chemistry of Atomic Layer Depositions of Solid Thin Films Zaera, Francisco The Journal of Physical Chemistry Letters, Vol. 3, Issue 10 https://doi.org/10.1021/jz300125f	journal	May 2012
Copper reduction and atomic layer deposition by oxidative decomposition of formate by hydrazine Dey, Gangotri; Elliott, Simon D. RSC Adv., Vol. 4, Issue 65 https://doi.org/10.1039/C4RA07003H	journal	January 2014
Frontiers of supramolecular chemistry at solid surfaces Mali, Kunal S.; Pearce, Nicholas; De Feyter, Steven Chemical Society Reviews, Vol. 46, Issue 9 https://doi.org/10.1039/C7CS00113D	journal	January 2017
Chirality in adsorption on solid surfaces Zaera, Francisco Chemical Society Reviews, Vol. 46, Issue 23 https://doi.org/10.1039/C7CS00367F	journal	January 2017
Kinetic measurements of hydrocarbon conversion reactions on model metal surfaces Wilson, Jarod; Guo, Hansheng; Morales, Ricardo Physical Chemistry Chemical Physics, Vol. 9, Issue 29 https://doi.org/10.1039/b702652h	journal	January 2007
Liquid-phase chemical hydrogen storage materials Yadav, Mahendra; Xu, Qiang Energy & Environmental Science, Vol. 5, Issue 12 https://doi.org/10.1039/c2ee22937d	journal	January 2012
Spectroscopic and kinetic studies of formic acid adsorption on Cu(110) Bowker, Michael; Haq, Sam; Holroyd, Richard Journal of the Chemical Society, Faraday Transactions, Vol. 92, Issue 23 https://doi.org/10.1039/ft9969204683	journal	January 1996
Approximate Formulas for Many‐Center Integrals in the Theory of Molecules and Crystals Löwdin, Per‐Olov The Journal of Chemical Physics, Vol. 21, Issue 2 https://doi.org/10.1063/1.1698901	journal	February 1953
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Effect of the nature of the substrate on the surface chemistry of atomic layer deposition precursors Yao, Yunxi; Coyle, Jason P.; Barry, Seán T. The Journal of Chemical Physics, Vol. 146, Issue 5 https://doi.org/10.1063/1.4966201	journal	November 2016
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Hydrogen-Induced Subsurface Reconstruction of Cu(110) Rieder, K. H.; Stocker, W. Physical Review Letters, Vol. 57, Issue 20 https://doi.org/10.1103/PhysRevLett.57.2548	journal	November 1986
Bridging the Pressure Gap in Surface Science at the Atomic Level: H / Cu ( 110 ) Österlund, L.; Rasmussen, P. B.; Thostrup, P. Physical Review Letters, Vol. 86, Issue 3 https://doi.org/10.1103/PhysRevLett.86.460	journal	January 2001
Thermal chemistry of the Cu-KI5 atomic layer deposition precursor on a copper surface Ma, Qiang; Zaera, Francisco Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 33, Issue 1 https://doi.org/10.1116/1.4896940	journal	January 2015
A thermal desorption and x‐ray photoelectron spectroscopy study of the surface chemistry of iron pentacarbonyl Zaera, Francisco Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 7, Issue 3 https://doi.org/10.1116/1.575858	journal	May 1989
Production of Nickel Metal Powder from a Spent Etching Solution by Solvent Extraction and Chemical Reduction Lee, Manseung Journal of Nanoscience and Nanotechnology, Vol. 11, Issue 2 https://doi.org/10.1166/jnn.2011.3359	journal	February 2011
Chemical Reduction Method for Preparation of Silver Nanoparticles on a Silver Chloride Substrate for Application in Surface-Enhanced Infrared Optical Sensors Purna, Gadupudi; Rao, Chandra; Yang, Jyisy Applied Spectroscopy, Vol. 64, Issue 10 https://doi.org/10.1366/000370210792973640	journal	October 2010
Copper Nanoparticles Mediated by Chitosan: Synthesis and Characterization via Chemical Methods Usman, Muhammad; Ibrahim, Nor; Shameli, Kamyar Molecules, Vol. 17, Issue 12 https://doi.org/10.3390/molecules171214928	journal	December 2012

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