Understanding the Role of Electronic Effects in CO on the Pt–Sn Alloy Surface via Band Structure Measurements

Jung, Jongkeun; Kang, Sungwoo; Nicolaï, Laurent; Hong, Jisook; Minár, Ján; Song, Inkyung; Kyung, Wonshik; Cho, Soohyun; Kim, Beomseo; Denlinger, Jonathan D.; Cadete Santos Aires, Francisco José; Ehret, Eric; Ross, Philip; Shim, Jihoon; Nemšák, Slavomir; Noh, Doyoung; Han, Seungwu; Kim, Changyoung; Mun, Bongjin Simon

doi:10.1021/acscatal.1c04566

Title: Understanding the Role of Electronic Effects in CO on the Pt–Sn Alloy Surface via Band Structure Measurements

Journal Article · 13 December 2021 · ACS Catalysis

DOI: https://doi.org/10.1021/acscatal.1c04566 · OSTI ID:1835651

Jung, Jongkeun ^[1];

^[2]; Nicolaï, Laurent ^[3];

^[4]; Minár, Ján ^[3]; Song, Inkyung ^[1];

^[1];

^[5];

^[1]; Denlinger, Jonathan D. ^[6]; Cadete Santos Aires, Francisco José ^[7]; Ehret, Eric ^[8]; Ross, Philip ^[9];

^[10];

^[6]; Noh, Doyoung ^[11];

^[2]; Kim, Changyoung ^[1];

^[11]

Center for Correlated Electron Systems, Institute for Basic Science, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea, Department of Physics and Astronomy, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea
Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea
New Technologies Research Centre (NTC), University of West Bohemia, Univerzitni 8/2732, Plzen 301 00, Czech Republic
The Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, California 94720, United States
Shanghai Institute of Microsystem and Information Technology (SIMIT), Chinese Academy of Sciences, 865 Changning Rd., Shanghai 200050, People’s Republic of China
Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, California 94720, United States
Université Claude Bernard Lyon 1, Université de Lyon, CNRS - UMR 5256, IRCELYON, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex, France, National Research Tomsk State University, Laboratory for Catalytic Research, 36, Lenin Avenue, 634050 Tomsk, Russian Federation
Université Claude Bernard Lyon 1, Université de Lyon, CNRS - UMR 5256, IRCELYON, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex, France
Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, California 94720, United States
Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 37673, Republic of Korea
Department of Physics and Photon Science, Gwangju Institute of Science and Technology, 123 Cheomdan-gwagiro, Buk-gu, Gwangju 61005, Republic of Korea, Center for Advanced X-ray Science, Gwangju Institute of Science and Technology, 123 Cheomdan-gwagiro, Buk-gu, Gwangju 61005, Republic of Korea

Not Available

View Journal Article

Cite

Export

Save

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

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1835651

Journal Information:: ACS Catalysis, Journal Name: ACS Catalysis Journal Issue: 1 Vol. 12; ISSN 2155-5435

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (28)

Electronic factors determining the reactivity of metal surfaces Hammer, B.; Nørskov, J. K. Surface Science, Vol. 343, Issue 3 https://doi.org/10.1016/0039-6028(96)80007-0	journal	December 1995
Influence of Sn additives on the selectivity of hydrogenation of α-β-unsaturated aldehydes with Pt catalysts: a density functional study of molecular adsorption Delbecq, F. Journal of Catalysis, Vol. 220, Issue 1 https://doi.org/10.1016/S0021-9517(03)00249-5	journal	November 2003
Electronic contrast in scanning tunneling microscopy of Sn–Pt(111) surface alloys Batzill, M.; Beck, D. E.; Koel, B. E. Surface Science, Vol. 466, Issue 1-3 https://doi.org/10.1016/S0039-6028(00)00803-7	journal	November 2000
A review of the kinetics and mechanisms of formation of supported-nanoparticle heterogeneous catalysts Mondloch, Joseph E.; Bayram, Ercan; Finke, Richard G. Journal of Molecular Catalysis A: Chemical, Vol. 355 https://doi.org/10.1016/j.molcata.2011.11.011	journal	March 2012
CO Adsorption Site Preference on Platinum: Charge Is the Essence Kalhara Gunasooriya, G. T. Kasun; Saeys, Mark ACS Catalysis, Vol. 8, Issue 5 https://doi.org/10.1021/acscatal.8b00214	journal	March 2018
Chemisorption of carbon monoxide, hydrogen, and oxygen on ordered tin/platinum(111) surface alloys Paffett, M. T.; Gebhard, S. C.; Windham, R. G. The Journal of Physical Chemistry, Vol. 94, Issue 17 https://doi.org/10.1021/j100380a053	journal	August 1990
Molecular Orbital View of Chemisorbed Carbon Monoxide Blyholder, George The Journal of Physical Chemistry, Vol. 68, Issue 10 https://doi.org/10.1021/j100792a006	journal	October 1964
Surface Chemistry of SO ₂ on Sn and Sn/Pt(111) Alloys: Effects of Metal−Metal Bonding on Reactivity toward Sulfur Rodriguez, José A.; Jirsak, Tomas; Chaturvedi, Sanjay Journal of the American Chemical Society, Vol. 120, Issue 43 https://doi.org/10.1021/ja982174a	journal	November 1998
Vibrational Study of CO Chemisorption on the Pt ₃ Sn(111)-(2 × 2) Surface Dupont, Céline; Loffreda, David; Delbecq, Françoise The Journal of Physical Chemistry C, Vol. 111, Issue 24 https://doi.org/10.1021/jp070333j	journal	May 2007
Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces Hammer, B.; Nielsen, O. H.; Nrskov, J. K. Catalysis Letters, Vol. 46, Issue 1/2, p. 31-35 https://doi.org/10.1023/A:1019073208575	journal	January 1997
Design and synthesis of a heterogeneous asymmetric catalyst Wan, Kam T.; Davis, Mark E. Nature, Vol. 370, Issue 6489 https://doi.org/10.1038/370449a0	journal	August 1994
Theoretical study on the photostimulated desorption of CO from a Pt surface Nakatsuji, H.; Morita, H.; Nakai, H. The Journal of Chemical Physics, Vol. 104, Issue 2 https://doi.org/10.1063/1.470796	journal	January 1996
Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications Ebert, H.; Ködderitzsch, D.; Minár, J. Reports on Progress in Physics, Vol. 74, Issue 9 https://doi.org/10.1088/0034-4885/74/9/096501	journal	August 2011
Ground-State Energy of a Many-Fermion System. II Luttinger, J. M.; Ward, J. C. Physical Review, Vol. 118, Issue 5 https://doi.org/10.1103/PhysRev.118.1417	journal	June 1960
Fermi Surface and Some Simple Equilibrium Properties of a System of Interacting Fermions Luttinger, J. M. Physical Review, Vol. 119, Issue 4 https://doi.org/10.1103/PhysRev.119.1153	journal	August 1960
Rethinking CO adsorption on transition-metal surfaces: Effect of density-driven self-interaction errors Patra, Abhirup; Peng, Haowei; Sun, Jianwei Physical Review B, Vol. 100, Issue 3 https://doi.org/10.1103/PhysRevB.100.035442	journal	July 2019
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y. Physical Review B, Vol. 57, Issue 3, p. 1505-1509 https://doi.org/10.1103/PhysRevB.57.1505	journal	January 1998
Significance of single-electron energies for the description of CO on Pt(111) Kresse, G.; Gil, A.; Sautet, P. Physical Review B, Vol. 68, Issue 7 https://doi.org/10.1103/PhysRevB.68.073401	journal	August 2003
Probing the charge-transfer state of CO on Pt(111) by two-dimensional infrared-visible sum frequency generation spectroscopy Chou, K. C.; Westerberg, S.; Shen, Y. R. Physical Review B, Vol. 69, Issue 15 https://doi.org/10.1103/PhysRevB.69.153413	journal	April 2004
Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle Lazić, P.; Alaei, M.; Atodiresei, N. Physical Review B, Vol. 81, Issue 4 https://doi.org/10.1103/PhysRevB.81.045401	journal	January 2010
Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding Medeiros, Paulo V. C.; Stafström, Sven; Björk, Jonas Physical Review B, Vol. 89, Issue 4 https://doi.org/10.1103/PhysRevB.89.041407	journal	January 2014
Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator Medeiros, Paulo V. C.; Tsirkin, Stepan S.; Stafström, Sven Physical Review B, Vol. 91, Issue 4 https://doi.org/10.1103/PhysRevB.91.041116	journal	January 2015
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Comment on “Generalized Gradient Approximation Made Simple” Zhang, Yingkai; Yang, Weitao Physical Review Letters, Vol. 80, Issue 4 https://doi.org/10.1103/PhysRevLett.80.890	journal	January 1998
Van der Waals Density Functional for General Geometries Dion, M.; Rydberg, H.; Schröder, E. Physical Review Letters, Vol. 92, Issue 24 https://doi.org/10.1103/PhysRevLett.92.246401	journal	June 2004
A chemical and theoretical way to look at bonding on surfaces Hoffmann, Roald Reviews of Modern Physics, Vol. 60, Issue 3 https://doi.org/10.1103/RevModPhys.60.601	journal	July 1988
E LECTRONIC S TRUCTURE AND C ATALYSIS ON M ETAL S URFACES Greeley, Jeff; Nørskov, Jens K.; Mavrikakis, Manos Annual Review of Physical Chemistry, Vol. 53, Issue 1 https://doi.org/10.1146/annurev.physchem.53.100301.131630	journal	October 2002

Similar Records

N-butane hydrogenolysis at Sn/Pt(111) surface alloys

Journal Article · 1994 · Journal of Catalysis · OSTI ID:98936

Szanyi, J; Anderson, S; Paffett, M T

MOESSBAUER EFFECT IN Sn-Pt ALLOYS

Journal Article · 1965 · Phys. Letters · OSTI ID:4610821

Kanekar, C R; Rao, K R.P.M.; Rao, V U.S.

Surface chemistry on bimetallic alloy surfaces: Adsorption of anions and oxidation of Co on Pt(3)Sn(111)

Journal Article · 2002 · Journal of the American Chemical Society · OSTI ID:831661

Stamenkovic, V R

Title: Understanding the Role of Electronic Effects in CO on the Pt–Sn Alloy Surface via Band Structure Measurements

Citation Formats

References (28)

Similar Records

Related Subjects