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Journal Articles

Latent-to-sensible heat conversion kinetics during nanoparticle coalescence

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Abhilash Ojha, Tomoya Tamadate, Christopher J. Hogan,, Jr.
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214305 (2024)
https://doi.org/10.1063/5.0206634
Published: June 2024
View articletitled, Latent-to-sensible heat conversion kinetics during nanoparticle coalescence
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Journal Articles

Role of bimetallic Au–Ir subnanometer clusters mediating O2 adsorption and dissociation on anatase TiO2 (101)

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J. Fabila, D. Romero, O. Paz-Borbón, F. Buendía
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084309 (2022)
https://doi.org/10.1063/5.0100739
Published: August 2022
View articletitled, Role of bimetallic Au–Ir subnanometer clusters mediating O2 adsorption and dissociation on anatase TiO2 (101)
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Includes: Supplementary data
Journal Articles

When mechanisms of coalescence and sintering at the nanoscale fundamentally differ: Molecular dynamics study

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V. M. Samsonov, I. V. Talyzin, V. V. Puytov, S. A. Vasilyev, A. A. Romanov, M. I. Alymov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 214302 (2022)
https://doi.org/10.1063/5.0075748
Published: June 2022
View articletitled, When mechanisms of coalescence and sintering at the nanoscale fundamentally differ: Molecular dynamics study
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Journal Articles

A rapid feature selection method for catalyst design: Iterative Bayesian additive regression trees (iBART)

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Chun-Yen Liu, Shengbin Ye, Meng Li, Thomas P. Senftle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 164105 (2022)
https://doi.org/10.1063/5.0090055
Published: April 2022
View articletitled, A rapid feature selection method for catalyst design: Iterative Bayesian additive regression trees (iBART)
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Includes: Supplementary data
Journal Articles

Low-temperature nucleation and growth of Zn on Au(111) and thermal stability toward (surface) alloy formation

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Konstantin M. Schüttler, Joachim Bansmann, Albert K. Engstfeld, R. Jürgen Behm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 124704 (2021)
https://doi.org/10.1063/5.0054980
Published: September 2021
View articletitled, Low-temperature nucleation and growth of Zn on Au(111) and thermal stability toward (surface) alloy formation
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Includes: Supplementary data
Journal Articles

Growth, sintering, and chemical states of Co supported on reducible CeO2(111) thin films: The effects of the metal coverage and the nature of the support

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Jing Zhou, Linze Du, Daniel L. Braedt, Jintao Miao, Sanjaya D. Senanayake
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 044704 (2021)
https://doi.org/10.1063/5.0036952
Published: January 2021
View articletitled, Growth, sintering, and chemical states of Co supported on reducible CeO2(111) thin films: The effects of the metal coverage and the nature of the support
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Journal Articles

Catalytic activity, water formation, and sintering: Methane activation over Co- and Fe-doped MgO nanocrystals

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Matthias Niedermaier, Thomas Schwab, Pierre Kube, Gregor A. Zickler, Annette Trunschke, Oliver Diwald
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 074713 (2020)
https://doi.org/10.1063/1.5138894
Published: February 2020
View articletitled, Catalytic activity, water formation, and sintering: Methane activation over Co- and Fe-doped MgO nanocrystals
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Includes: Supplementary data
Journal Articles

Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability

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Guangjing Li, Borna Zandkarimi, Ashley C. Cass, Timothy J. Gorey, Bradley J. Allen, Anastassia N. Alexandrova, Scott L. Anderson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 024702 (2020)
https://doi.org/10.1063/1.5129686
Published: January 2020
View articletitled, Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability
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Includes: Supplementary data
Journal Articles

Charge transfer and spillover phenomena in ceria-supported iridium catalysts: A model study

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Yaroslava Lykhach, Jan Kubát, Armin Neitzel, Nataliya Tsud, Mykhailo Vorokhta, Tomáš Skála, Filip Dvořák, Yuliia Kosto, Kevin C. Prince, Vladimír Matolín, Viktor Johánek, Josef Mysliveček, Jörg Libuda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 204703 (2019)
https://doi.org/10.1063/1.5126031
Published: November 2019
View articletitled, Charge transfer and spillover phenomena in ceria-supported iridium catalysts: A model study
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Journal Articles

Ultrasmall Au clusters supported on pristine and defected CeO2: Structure and stability

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Si-Da Huang, Cheng Shang, Zhi-Pan Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 174702 (2019)
https://doi.org/10.1063/1.5126187
Published: November 2019
View articletitled, Ultrasmall Au clusters supported on pristine and defected CeO2: Structure and stability
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Includes: Supplementary data
Journal Articles

Diffusion barriers, growth pathways, and scaling relations for small supported metal clusters

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Nisha Mammen, Shobhana Narasimhan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 144709 (2019)
https://doi.org/10.1063/1.5125063
Published: October 2019
View articletitled, Diffusion barriers, growth pathways, and scaling relations for small supported metal clusters
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Includes: Supplementary data
Journal Articles

Kinetics of Cr3+ to Cr4+ ion valence transformations and intra-lattice cation exchange of Cr4+ in Cr,Ca:YAG ceramics used as laser gain and passive Q-switching media

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M. A. Chaika, R. Tomala, W. Strek, D. Hreniak, P. Dluzewski, K. Morawiec, P. V. Mateychenko, A. G. Fedorov, A. G. Doroshenko, S. V. Parkhomenko, K. Lesniewska-Matys, D. Podniesinski, A. Kozłowska, G. Mancardi, O. M. Vovk
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 134708 (2019)
https://doi.org/10.1063/1.5118321
Published: October 2019
View articletitled, Kinetics of Cr3+ to Cr4+ ion valence transformations and intra-lattice cation exchange of Cr4+ in Cr,Ca:YAG ceramics used as laser gain and passive Q-switching media
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Journal Articles

The stability and oxidation of supported atomic-size Cu catalysts in reactive environments

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Satish Kumar Iyemperumal, Thomas G. Fenton, Samantha L. Gillingham, Alexander D. Carl, Ronald L. Grimm, Gonghu Li, N. Aaron Deskins
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 054702 (2019)
https://doi.org/10.1063/1.5110300
Published: August 2019
View articletitled, The stability and oxidation of supported atomic-size Cu catalysts in reactive environments
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Includes: Supplementary data
Journal Articles

Effect of reducible oxide–metal cluster charge transfer on the structure and reactivity of adsorbed Au and Pt atoms and clusters on anatase TiO2

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Honghong Wang, Taicheng An, Annabella Selloni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 184703 (2017)
https://doi.org/10.1063/1.4982933
Published: May 2017
View articletitled, Effect of reducible oxide–metal cluster charge transfer on the structure and reactivity of adsorbed Au and Pt atoms and clusters on anatase TiO2
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Includes: Supplementary data
Journal Articles

Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics

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A. Ektarawong, S. I. Simak, L. Hultman, J. Birch, F. Tasnádi, F. Wang, B. Alling
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 134503 (2016)
https://doi.org/10.1063/1.4944982
Published: April 2016
View articletitled, Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics
Open the PDF for Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics in another window
Journal Articles

Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO2 (110)

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F. Rieboldt, L. B. Vilhelmsen, S. Koust, J. V. Lauritsen, S. Helveg, L. Lammich, F. Besenbacher, B. Hammer, S. Wendt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 141, 214702 (2014)
https://doi.org/10.1063/1.4902249
Published: December 2014
View articletitled, Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO2 (110)
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Journal Articles

Fourier transform infrared isotopic study of SiC5: Identification of the ν4(σ) mode

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T. H. Lê, C. M. L. Rittby, W. R. M. Graham
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 064314 (2014)
https://doi.org/10.1063/1.4864201
Published: February 2014
View articletitled, Fourier transform infrared isotopic study of SiC5: Identification of the ν4(σ) mode
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Journal Articles

Oxidation and reduction of size-selected subnanometer Pd clusters on Al2O3 surface

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Bao-Hua Mao, Rui Chang, Sungsik Lee, Stephanus Axnanda, Ethan Crumlin, Michael E. Grass, Sui-Dong Wang, Stefan Vajda, Zhi Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 214304 (2013)
https://doi.org/10.1063/1.4807488
Published: June 2013
View articletitled, Oxidation and reduction of size-selected subnanometer Pd clusters on Al2O3 surface
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Includes: Supplementary data
Journal Articles

Communication: Structure, formation, and equilibration of ensembles of Ag-S complexes on an Ag surface

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Selena M. Russell, Yousoo Kim, Da-Jiang Liu, J. W. Evans, P. A. Thiel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 071101 (2013)
https://doi.org/10.1063/1.4790571
Published: February 2013
View articletitled, Communication: Structure, formation, and equilibration of ensembles of Ag-S complexes on an Ag surface
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Journal Articles

CO adsorption and desorption on size-selected Pdn/TiO2(110) model catalysts: Size dependence of binding sites and energies, and support-mediated adsorption

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William E. Kaden, William A. Kunkel, F. Sloan Roberts, Matthew Kane, Scott L. Anderson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 204705 (2012)
https://doi.org/10.1063/1.4721625
Published: May 2012
View articletitled, CO adsorption and desorption on size-selected Pdn/TiO2(110) model catalysts: Size dependence of binding sites and energies, and support-mediated adsorption
Open the PDF for CO adsorption and desorption on size-selected Pdn/TiO2(110) model catalysts: Size dependence of binding sites and energies, and support-mediated adsorption in another window
Includes: Supplementary data