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1. Full Text On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
by Lausche, Adam C and Medford, Andrew J and Khan, Tuhin Suvra and Xu, Yue and Bligaard, Thomas and Abild-Pedersen, Frank and Nørskov, Jens K and Studt, Felix and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Journal of catalysis, ISSN 0021-9517, 11/2013, Volume 307, Issue C, pp. 275 - 282
Coverage effects | Adsorbate–adsorbate interactions | Heterogeneous catalysis | Density functional theory | CO methanation | Scaling relations | Adsorbate-adsorbate interactions | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology | General and physical chemistry | Catalysis | Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry | Exact sciences and technology | Transition metal compounds | Chemical reactions | Catalysts | Metals
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2. Full Text Trends in the Catalytic Activity of Hydrogen Evolution during CO2 Electroreduction on Transition Metals
by Cave, Etosha R and Shi, Chuan and Kuhl, Kendra P and Hatsukade, Toru and Abram, David N and Hahn, Christopher and Chan, Karen and Jaramillo, Thomas F and SLAC National Accelerator Lab., Menlo Park, CA (United States)
ACS catalysis, ISSN 2155-5435, 04/2018, Volume 8, Issue 4, pp. 3035 - 3040
adsorbate-adsorbate interactions | electroreduction | volcano plot | electrocatalysis | hydrogen evolution reaction | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | CO2 electroreduction | adsorbate−adsorbate interactions | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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3. Full Text Lateral adsorbate interactions inhibit HCOO− while promoting CO selectivity for CO2 electrocatalysis on silver
by Bohra, D and Ledezma Yanez, I.D and Li, G and de Jong, W and Pidko, E.A and Smith, W.A
Angewandte Chemie (International ed.), ISSN 1433-7851, 2019, Volume 58, Issue 5, pp. 1345 - 1349
adsorbate-adsorbate interactions | in situ studies | DFT | Raman spectroscopy | electrocatalysis | in situ studies | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Chemical reduction | Silver | Solvation | Carbon dioxide | Adsorbates | Electron transfer | Electrochemistry | Selectivity | Carbon monoxide | Hydrogen production | Communications | Communication
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4. Full Text Lateral Adsorbate Interactions Inhibit HCOO − while Promoting CO Selectivity for CO 2 Electrocatalysis on Silver
by Bohra, Divya and Ledezma-Yanez, Isis and Li, Guanna and de Jong, Wiebren and Pidko, Evgeny A and Smith, Wilson A
Angewandte Chemie (International ed.), ISSN 1433-7851, 01/2019, Volume 58, Issue 5, pp. 1345 - 1349
adsorbate-adsorbate interactions | in situ studies | DFT | Raman spectroscopy | electrocatalysis
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5. Full Text Engineering Single‐Atom Cobalt Catalysts toward Improved Electrocatalysis
by Wan, Gang and Yu, Pengfei and Chen, Hangrong and Wen, Jianguo and Sun, Cheng‐jun and Zhou, Hua and Zhang, Nian and Li, Qianru and Zhao, Wanpeng and Xie, Bing and Li, Tao and Shi, Jianlin and Argonne National Lab. (ANL), Argonne, IL (United States)
Small (Weinheim an der Bergstrasse, Germany), ISSN 1613-6810, 04/2018, Volume 14, Issue 15, pp. e1704319 - n/a
selectivity | media dependence | metal–adsorbate interactions | electrocatalysis | single‐atom dispersed catalysts | single-atom dispersed catalysts | Materials Science | Materials Science, Multidisciplinary | Physics, Condensed Matter | Science & Technology - Other Topics | Chemistry, Physical | Physics | Science & Technology | Physics, Applied | Physical Sciences | Chemistry | Nanoscience & Nanotechnology | Technology | Chemistry, Multidisciplinary | Catalysts | Heterogeneous catalysis | Cobalt | Chemical reduction | Adsorbates | Electronic engineering | Catalytic activity | Catalysis | Noble metals | Dispersion | Design optimization | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | metal-adsorbate interactions | media-dependence
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6. Full Text Accurate coverage-dependence incorporated into first-principles kinetic models: Catalytic NO oxidation on Pt (111)
by Wu, C and Schmidt, D.J and Wolverton, C and Schneider, W.F
Journal of catalysis, ISSN 0021-9517, 02/2012, Volume 286, pp. 88 - 94
Adsorbate–adsorbate interactions | O2 dissociation | Cluster expansion | DFT | NO oxidation kinetics | Rate laws | Adsorbate-adsorbate interactions | dissociation | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology | General and physical chemistry | Catalysis | Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry | Exact sciences and technology | Monte Carlo method | Oxidation-reduction reaction | Models | Universities and colleges | Oxidation | Kinetics | Nitric oxide
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7. Full Text Separation of the attractive and repulsive contributions to the adsorbate–adsorbate interactions of polar adsorbates on Si(100)
by Lin, Ying-Hsiu and Jeng, Horng-Tay and Lin, Deng-Sung
Surface science, ISSN 0039-6028, 11/2015, Volume 641, pp. 282 - 288
Adsorbate–adsorbate interactions | Polar molecules | Si surface | Density functional theory calculations | Adsorbate-adsorbate interactions | Density functionals | Adsorption | Specific gravity | Hydrogen | Analysis | Charge density | Hydrogen bonds | Mathematical analysis | Adsorbates | Surface chemistry | Density functional theory | Exploration
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8. Full Text Understanding Trends in Catalytic Activity: The Effect of Adsorbate–Adsorbate Interactions for CO Oxidation Over Transition Metals
by Grabow, Lars C and Hvolbæk, Britt and Nørskov, Jens K and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Topics in catalysis, ISSN 1022-5528, 5/2010, Volume 53, Issue 5, pp. 298 - 310
Heterogeneous catalysis | Adsorbate–adsorbate interactions | Chemistry | Physical Chemistry | CO oxidation | Pharmacy | Coverage effects | Characterization and Evaluation of Materials | Catalysis | Industrial Chemistry/Chemical Engineering | Volcano plots | Adsorbate-adsorbate interactions | Oxidation-reduction reaction | Volcanoes | Adsorption
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9. Full Text Scalable approach to high coverages on oxides via iterative training of a machine‐learning algorithm
by Liu, Fuzhu and Yang, Shengchun and Medford, Andrew J
ChemCatChem, ISSN 1867-3880, 09/2020, Volume 12, Issue 17, pp. 4317 - 4330
adsorbate-adsorbate interactions | lateral adsorbate interactions | surface phase diagram | Gaussian process | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Phase diagrams | Catalysts | Metal compounds | Surface chemistry | Adsorbates | Metal oxides | Training | Solid surfaces | Algorithms | Adsorption | Machine learning | Chemical potential | Iterative methods | Titanium dioxide
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10. Full Text A Pd@Zeolite Catalyst for Nitroarene Hydrogenation with High Product Selectivity by Sterically Controlled Adsorption in the Zeolite Micropores
by Zhang, Jian and Wang, Liang and Shao, Yi and Wang, Yanqin and Gates, Bruce C and Xiao, Feng‐Shou
Angewandte Chemie (International ed.), ISSN 1433-7851, 08/2017, Volume 56, Issue 33, pp. 9747 - 9751
palladium nanoparticles | nitroarenes | zeolites | heterogeneous catalysis | hydrogenation | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Palladium catalysts | Heterogeneous catalysis | Palladium | Adsorption | Zeolites | Hydrogenation | Ruthenium | Catalysts | Adsorbates | Crystals | Selective adsorption | Selectivity | Zeolite | Business competition | Nanoparticles | Fixation | Platinum | Chemical synthesis
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11. Full Text Back Cover: Lateral Adsorbate Interactions Inhibit HCOO− while Promoting CO Selectivity for CO2 Electrocatalysis on Silver (Angew. Chem. Int. Ed. 5/2019)
by Bohra, Divya and Ledezma‐Yanez, Isis and Li, Guanna and de Jong, Wiebren and Pidko, Evgeny A and Smith, Wilson A
Angewandte Chemie (International ed.), ISSN 1433-7851, 01/2019, Volume 58, Issue 5, pp. 1520 - 1520
adsorbate-adsorbate interactions | in situ studies | DFT | Raman spectroscopy | electrocatalysis
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