Cargando…

Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces

[Image: see text] Accurately simulating heterogeneously catalyzed reactions requires reliable barriers for molecules reacting at defects on metal surfaces, such as steps. However, first-principles methods capable of computing these barriers to chemical accuracy have yet to be demonstrated. We show t...

Descripción completa

Detalles Bibliográficos
Autores principales:	Migliorini, Davide, Chadwick, Helen, Nattino, Francesco, Gutiérrez-González, Ana, Dombrowski, Eric, High, Eric A., Guo, Han, Utz, Arthur L., Jackson, Bret, Beck, Rainer D., Kroes, Geert-Jan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2017
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5592645/ https://www.ncbi.nlm.nih.gov/pubmed/28817773 http://dx.doi.org/10.1021/acs.jpclett.7b01905

Ejemplares similares

Correction to “Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces”
por: Migliorini, Davide, et al.
Publicado: (2019)

Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction
por: Nattino, Francesco, et al.
Publicado: (2016)

Incident Angle Dependence of CHD(3) Dissociation on the Stepped Pt(211) Surface
por: Chadwick, Helen, et al.
Publicado: (2018)

Quantum Dynamics of Dissociative Chemisorption of H(2) on the Stepped Cu(211) Surface
por: Smeets, Egidius W. F., et al.
Publicado: (2019)

Correction to “Quantum Dynamics of Dissociative Chemisorption of H(2) on the Stepped Cu(211) Surface″
por: Smeets, Egidius W. F., et al.
Publicado: (2019)

Dynamical Study of the Dissociative Chemisorption of CHD(3) on Pd(111)
por: Gerrits, Nick, et al.
Publicado: (2019)

Surface-induced vibrational energy redistribution in methane/surface scattering depends on catalytic activity
por: Floß, Patrick, et al.
Publicado: (2023)

Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation
por: Gerrits, Nick, et al.
Publicado: (2021)

Coherent consolidation of trillions of nucleations for mono-atom step-level flat surfaces
por: Ha, Taewoo, et al.
Publicado: (2023)

SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces
por: Tchakoua, T., et al.
Publicado: (2022)

Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D(2) on Cu(211)
por: Füchsel, Gernot, et al.
Publicado: (2017)

Lie applicable surfaces and curved flats
por: Burstall, Francis, et al.
Publicado: (2021)

Vibrational Excitation of H(2) Scattering from Cu(111): Effects of Surface Temperature and of Allowing Energy Exchange with the Surface
por: Kroes, Geert-Jan, et al.
Publicado: (2017)

Accurate Neural Network Description of Surface Phonons in Reactive Gas–Surface Dynamics: N(2) + Ru(0001)
por: Shakouri, Khosrow, et al.
Publicado: (2017)

Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design
por: Arevalo, Ryan Lacdao, et al.
Publicado: (2017)

Methane removal and the proportional reductions in surface temperature and ozone
por: Abernethy, S., et al.
Publicado: (2021)

Universal dispersion of surface plasmons in flat nanostructures
por: Schmidt, Franz-Philipp, et al.
Publicado: (2014)

2-step reaction kinetics for hydrogen absorption into bulk material via dissociative adsorption on the surface
por: Yakabe, Taro, et al.
Publicado: (2021)

Critical surfaces and flat directions in a finite theory
por: Rabinovici, Eliezer, et al.
Publicado: (1987)

Shape Transformations of Vesicles Induced by Their Adhesion to Flat Surfaces
por: Raval, Jeel, et al.
Publicado: (2020)

Surfactant Interactions with Protein-Coated Surfaces: Comparison between Colloidal and Macroscopically Flat Surfaces
por: Mateos, Helena, et al.
Publicado: (2020)

The Effect of Isotropic One-Process and Two-Process Surface Textures on the Contact of Flat Surfaces
por: Pawlus, Pawel, et al.
Publicado: (2019)

Redistribution of surface macromolecules in dissociated epithelial cells
Publicado: (1976)

Blocking of orbits and the phenomen of (in)security for the billiard in polygons and flat surfaces
por: Gutkin, E
Publicado: (2003)

Assessment of Automated Analyses of Cell Migration on Flat and Nanostructured Surfaces
por: Grădinaru, Cristian, et al.
Publicado: (2012)

An Optical Sensor for Measuring the Position and Slanting Direction of Flat Surfaces
por: Chen, Yu-Ta, et al.
Publicado: (2016)

Macroscopic Model for Sessile Droplet Evaporation on a Flat Surface
por: van der Heijden, Thijs W. G., et al.
Publicado: (2018)

Spontaneous nucleation on flat surface by depletion force in colloidal suspension
por: Nakamura, Nobutomo, et al.
Publicado: (2021)

Light chaotic dynamics in the transformation from curved to flat surfaces
por: Xu, Chenni, et al.
Publicado: (2022)

An Optical Fiber Sensing Method for Measuring the Surface Flatness of an Object
por: Zhang, Weijia, et al.
Publicado: (2022)

Analysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N(2) on Ru(0001)
por: Shakouri, Khosrow, et al.
Publicado: (2018)

Methane transport in agricultural soil after injection of isotopically-enriched methane in the sub-surface
por: Shaw, George, et al.
Publicado: (2018)

Contribution of oxic methane production to surface methane emission in lakes and its global importance
por: Günthel, Marco, et al.
Publicado: (2019)

Reduced Acid Dissociation of Amino-Acids at the Surface of Water
por: Strazdaite, Simona, et al.
Publicado: (2017)

Scaling Platinum‐Catalyzed Hydrogen Dissociation on Corrugated Surfaces
por: Auras, Sabine V., et al.
Publicado: (2020)

Surface-strain-enhanced oxygen dissociation on gold catalysts
por: Gao, Tianqi, et al.
Publicado: (2023)

One- and Two-Dimensional High-Resolution NMR from Flat Surfaces
por: Walder, Brennan J., et al.
Publicado: (2019)

Estimation of the Number of Quantum Dots Immobilized on an Ultra-flat Au Surface
por: Ito, Hiroki, et al.
Publicado: (2017)

Influence of the Cutting Strategy on the Temperature and Surface Flatness of the Workpiece in Face Milling
por: Nowakowski, Lukasz, et al.
Publicado: (2020)

Flatness and boundness of photonic drumhead surface state in a metallic lattice
por: Wang, Yu, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_bco2nn3vgskhndtl55kbmq6392