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Title: Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2

Abstract

Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition. This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at submicron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. Theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.

Authors:
 [1]; ORCiD logo [2];  [3];  [1]; ORCiD logo [2];  [1];  [4];  [4];  [5];  [6];  [1];  [1];  [1];  [1];  [1];  [4];  [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Department of Chemistry and Materials Science &, Engineering Program, University of California—Riverside, Riverside, California 92521, United States
  2. Department of Physics, University of Central Florida, 4000 Central Florida Boulevard, Orlando, Florida 32816, United States
  3. Department of Physics and Astronomy, University of Nebraska, Theodore Jorgensen Hall, 855 N 16th, Lincoln, Nebraska 68588-0299, United States
  4. Elettra-Sincrotrone Trieste, S.S.14, 163.5 km, Basovizza, Trieste 34149, Italy
  5. Department of Chemistry, Indiana University, 800 East Kirkwood Avenue, Bloomington, Indiana 47405, United States
  6. King Abdullah University of Science and Technology, Thuwal 23955-6900, Kingdom of Saudi Arabia
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE
OSTI Identifier:
1483381
Grant/Contract Number:  
FG02-07ER15842
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 122; Journal Issue: 1; Journal ID: ISSN 1932-7447
Country of Publication:
United States
Language:
English

Citation Formats

Merida, Cindy S., Le, Duy, Echeverria, Elena M., Nguyen, Ariana E., Rawal, Takat B., Naghibi Alvillar, Sahar, Kandyba, Viktor, Al-Mahboob, Abdullah, Losovyj, Yaroslav, Katsiev, Khabiboulakh, Valentin, Michael D., Huang, Chun-Yu, Gomez, Michael J., Lu, I-Hsi, Guan, Alison, Barinov, Alexei, Rahman, Talat S., Dowben, Peter A., and Bartels, Ludwig. Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2. United States: N. p., 2017. Web. doi:10.1021/acs.jpcc.7b07632.
Merida, Cindy S., Le, Duy, Echeverria, Elena M., Nguyen, Ariana E., Rawal, Takat B., Naghibi Alvillar, Sahar, Kandyba, Viktor, Al-Mahboob, Abdullah, Losovyj, Yaroslav, Katsiev, Khabiboulakh, Valentin, Michael D., Huang, Chun-Yu, Gomez, Michael J., Lu, I-Hsi, Guan, Alison, Barinov, Alexei, Rahman, Talat S., Dowben, Peter A., & Bartels, Ludwig. Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2. United States. doi:10.1021/acs.jpcc.7b07632.
Merida, Cindy S., Le, Duy, Echeverria, Elena M., Nguyen, Ariana E., Rawal, Takat B., Naghibi Alvillar, Sahar, Kandyba, Viktor, Al-Mahboob, Abdullah, Losovyj, Yaroslav, Katsiev, Khabiboulakh, Valentin, Michael D., Huang, Chun-Yu, Gomez, Michael J., Lu, I-Hsi, Guan, Alison, Barinov, Alexei, Rahman, Talat S., Dowben, Peter A., and Bartels, Ludwig. Wed . "Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2". United States. doi:10.1021/acs.jpcc.7b07632. https://www.osti.gov/servlets/purl/1483381.
@article{osti_1483381,
title = {Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2},
author = {Merida, Cindy S. and Le, Duy and Echeverria, Elena M. and Nguyen, Ariana E. and Rawal, Takat B. and Naghibi Alvillar, Sahar and Kandyba, Viktor and Al-Mahboob, Abdullah and Losovyj, Yaroslav and Katsiev, Khabiboulakh and Valentin, Michael D. and Huang, Chun-Yu and Gomez, Michael J. and Lu, I-Hsi and Guan, Alison and Barinov, Alexei and Rahman, Talat S. and Dowben, Peter A. and Bartels, Ludwig},
abstractNote = {Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition. This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at submicron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. Theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.},
doi = {10.1021/acs.jpcc.7b07632},
journal = {Journal of Physical Chemistry. C},
number = 1,
volume = 122,
place = {United States},
year = {2017},
month = {12}
}

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