Publications with the keyword "activation energy"

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R. Moiraghi, A. Lozano, E. Peterson, A. Utz, W. Dong, and H. Busnengo
Nonthermalized Precursor-Mediated Dissociative Chemisorption at High Catalysis Temperatures
Journal of Physical Chemistry Letters (cited By 2), 11(6), 2211-2218, 2020
activation energy atoms chemisorption geometry iridium compounds molecules surface defects surface measurement catalytic reactivity dissociative chemisorption geometry optimization quasi-classical-trajectory calculations reaction probability reactive trajectories transition state geometry vibrationally excited surface reactions
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J. Muñoz, O. Higuera, A. Expósito, A. Boulaajaj, R. Bolmaro, F. Dumitru, P. Calvillo, J. J. A.M., et al.
Thermal stability of ARMCO iron processed by ECAP
International Journal of Advanced Manufacturing Technology (cited By 5), 98(912), 2917-2932, 2018
activation energy annealing differential scanning calorimetry dislocations (crystals) grain boundaries grain growth iron pressing (forming) thermodynamic stability armco iron energy contribution low angle grain boundaries offset temperature stored energy tensile response true strain equal channel angular pressing
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M. Ramos, A. Martínez, and H. Busnengo
Dissociative Adsorption of H2 on PtRu Bimetallic Surfaces
Journal of Physical Chemistry C (cited By 2), 120(13), 7201-7212, 2016
activation energy adsorption density functional theory dissociation monolayers platinum ruthenium alloys bimetallic surfaces classical trajectories dissociative adsorption molecular hydrogen orders of magnitude sticking probability surface alloys theoretical study platinum alloys
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P. Lustemberg, P. Ramírez, Z. Liu, R. Gutiérrez, D. Grinter, J. Carrasco, S. Senanayake, J. Rodriguez, et al.
Room-Temperature Activation of Methane and Dry Re-forming with CO2 on Ni-CeO2(111) Surfaces: Effect of Ce3+ Sites and Metal-Support Interactions on C-H Bond Cleavage
ACS Catalysis (cited By 62), 6(12), 8184-8191, 2016
activation energy catalyst activity catalyst supports cerium compounds cerium oxide chemical bonds core levels density functional theory dissociation methane rhenium compounds x ray photoelectron spectroscopy core-level photoemission dry reforming-of-methane electronic perturbations low-activation energy metal-support interactions methane activation methane adsorption support effects nickel
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C. Arasa, V. Morón, H. Busnengo, and R. Sayós
Eley-Rideal reaction dynamics between O atoms on β-cristobalite (1 0 0) surface: A new interpolated potential energy surface and classical trajectory study
Surface Science (cited By 15), 603(17), 2742-2751, 2009
atomic oxygen catalycity classical trajectories cristobalite eley-rideal reaction activation energy atoms oxygen potential energy potential energy surfaces quantum chemistry silicate minerals surface reactions trajectories density functional theory
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P. Lustemberg, M. Martiarena, A. Martínez, and H. Busnengo
The reaction pathways for HSCH3 adsorption on Au(111): A density functional theory study
Langmuir (cited By 41), 24(7), 3274-3279, 2008
activation energy adsorption density functional theory molecular dynamics atom bond reaction pathways reaction kinetics
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C. Matteo, O. Lambri, G. Zelada-Lambri, P. Sorichetti, and J. García
The modified relaxation time function: A novel analysis technique for relaxation processes. Application to high-temperature molybdenum internal friction peaks
Journal of Nuclear Materials (cited By 6), 377(2), 370-377, 2008
activation energy diffusion high temperature effects internal friction modified relaxation time (mrt) relaxation damping molybdenum compounds
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P. Abufager, P. Lustemberg, C. Crespos, and H. Busnengo
DFT study of dissociative adsorption of hydrogen sulfide on Cu(111) and Au(111)
Langmuir (cited By 37), 24(24), 14022-14026, 2008
activation energy chemical bonds copper compounds density functional theory dissociation energy barriers gas adsorption sulfur compounds dissociation probability dissociation process dissociative adsorption high activation energy molecular adsorption molecular state reaction pathways sticking probability gold compounds
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G. Zelada-Lambri, O. Lambri, and J. García
Mechanical energy losses due to the movement of dislocations in molybdenum at high temperatures (0.3Tm)
Journal of Nuclear Materials (cited By 15), 353(12), 127-134, 2006
activation energy annealing crystal orientation damping dislocations (crystals) energy dissipation high temperature effects oscillations plastic deformation a0700 d0200 d0400 damping peak damping values m0300 m0700 molybdenum
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P. Rivière, H. Busnengo, and F. Martín
Density functional theory study of H and H2 interacting with NiAl(110)
Journal of Chemical Physics (cited By 42), 121(2), 751-760, 2004
activation energy degrees of freedom (mechanics) dissociation molecular beams potential energy probability density function surface phenomena energetic corrugation energy barriers potential energy surface (pes) vibrational softening nickel compounds
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N. Christodoulou, P. Turner, C. Tomé, C. Chow, and R. Klassen
Analysis of steady-state thermal creep of Zr-2.5Nb pressure tube material
Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science (cited By 31), 33(4), 1103-1115, 2002
activation energy aging of materials creep crystallography niobium polycrystalline materials pressure tube reactors shear stress strain tensile testing textures torsional stress critical resolved shear stress (crss) dynamic strain aging (dsa) zirconium alloys
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J. Kohanoff, S. Koval, D. Estrin, D. Laria, and Y. Abashkin
Concertedness and solvent effects in multiple proton transfer reactions: the formic acid dimer in solution
Journal of Chemical Physics (cited By 25), 112(21), 9498-9508, 2000
activation energy charge transfer computer simulation dimers hydrogen bonds mathematical models molecular dynamics molecular structure probability density function quantum theory water formic acid dimer minimum energy path multiple proton transfer potential energy surface solvation solvent polarization protons
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N. Christodoulou, P. Turner, E. Ho, C. Chow, and M. R. Levi
Anisotropy of yielding in a Zr-2.5Nb pressure tube material
Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science (cited By 51), 31(2), 409-420, 2000
activation energy anisotropy binary alloys nuclear reactors polycrystalline materials shear stress strain rate thermal effects tubes (components) yield stress critical resolved shear stress (crss) hill's plastic anisotropy zirconium niobium zirconium alloys
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R. Caruso, N. Pellegri, O. D. Sanctis, P. Rivas, and M. Caracoche
Comparative Study of Sol-Gel Derived 2.5% and 11.3% Y2O3-ZrO2 by Perturbed Angular Correlations Spectroscopy
Journal of Sol-Gel Science and Technology (cited By 2), 8(13), 223-227, 1997
activation energy ceramic materials diffusion doping (additives) heat treatment powders spectroscopic analysis thermal effects thermodynamic stability thin films yttrium compounds zirconia perturbed angular correlations (pac) spectroscopy phase structures thermal transformations sol-gels
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P. Rivas, M. Caracoche, J. Martinez, A. Rodríguez, R. Caruso, N. Pellegri, and O. D. Sanctis
Phase structure and thermal evolution in coatings and powders obtained by the sol-gel process: Part I. ZrO2-11.3 mol % Y2O3
Journal of Materials Research (cited By 19), 12(2), 493-500, 1997
activation energy ceramic coatings oxygen phase transitions powder metals sol-gels thermal effects yttrium compounds metastable cubic phase perturbed angular correlation spectroscopy (pac) yttria stabilized cubic zirconia zirconia
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R. Caruso, E. Benavídez, O. D. Sanctis, M. Caracoche, P. Rivas, M. Cervera, A. Caneiro, and A. Serquis
Phase structure and thermal evolution in coating films and powders obtained by sol-gel process: Part II. ZrO2-2.5 mole % Y2O3
Journal of Materials Research (cited By 38), 12(10), 2594-2601, 1997
activation energy ceramic coatings cooling doping (additives) heating phase composition powders sol-gels spectroscopic analysis thermal effects thermodynamic stability yttrium compounds perturbed angular correlations (pac) spectroscopy yttria zirconia
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