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Journal Articles

Toward more accurate surface properties of ceria using many-body perturbation theory

Ziyang Wei, George Yan, Philippe Sautet
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054708 (2023)
https://doi.org/10.1063/5.0161084
Published: August 2023
View article titled, Toward more accurate surface properties of ceria using many-body perturbation theory
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Includes: Supplementary data
Journal Articles

Decomposition of methanol-d4 on a thin film of Al2O3/NiAl(100) under near-ambient-pressure conditions

Guan-Jr Liao, Wen-Hao Hsueh, Yu-Hsiang Yen, Yi-Chan Shih, Chia-Hsin Wang, Jeng-Han Wang, Meng-Fan Luo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 174707 (2023)
https://doi.org/10.1063/5.0151135
Published: May 2023
View article titled, Decomposition of methanol-d<sub>4</sub> on a thin film of Al<sub>2</sub>O<sub>3</sub>/NiAl(100) under near-ambient-pressure conditions
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Includes: Supplementary data
Journal Articles

Non-equilibrium dynamics at the gas–liquid interface: State-resolved studies of NO evaporation from a benzyl alcohol liquid microjet

Mikhail Ryazanov, David J. Nesbitt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 144703 (2023)
https://doi.org/10.1063/5.0143254
Published: April 2023
View article titled, Non-equilibrium dynamics at the gas–liquid interface: State-resolved studies of NO evaporation from a benzyl alcohol liquid microjet
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Includes: Supplementary data
Journal Articles

Formation and structural characterization of two-dimensional wetting water layer on graphite (0001)

Takashi Yamada, Takenori Tawa, Natsumi Murase, Hiroyuki S. Kato
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074702 (2022)
https://doi.org/10.1063/5.0097760
Published: August 2022
View article titled, Formation and structural characterization of two-dimensional wetting water layer on graphite (0001)
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Includes: Supplementary data
Journal Articles

Desorption of physisorbed molecular oxygen from coronene films and graphite surfaces

Abdi Salam Mohamed Ibrahim, Sabine Morisset, Saoud Baouche, Francois Dulieu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 194307 (2022)
https://doi.org/10.1063/5.0087870
Published: May 2022
View article titled, Desorption of physisorbed molecular oxygen from coronene films and graphite surfaces
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Journal Articles

Dimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene

Zeyuan Tang, Bjørk Hammer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 134703 (2022)
https://doi.org/10.1063/5.0083253
Published: April 2022
View article titled, Dimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene
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Includes: Supplementary data
Journal Articles

Methanol decomposition on Ni(111) and O/Ni(111)

Henrik Öström, Bingjie Zhang, Tiffany Vallejo, Bryn Merrill, Jeremy Huang, Jerry LaRue
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 024704 (2022)
https://doi.org/10.1063/5.0072396
Published: January 2022
View article titled, Methanol decomposition on Ni(111) and O/Ni(111)
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Journal Articles

Mechanistic insights into carbon–carbon coupling on NiAu and PdAu single-atom alloys

Paul Kress, Romain Réocreux, Ryan Hannagan, Theodore Thuening, J. Anibal Boscoboinik, Michail Stamatakis, E. Charles H. Sykes
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204701 (2021)
https://doi.org/10.1063/5.0048977
Published: May 2021
View article titled, Mechanistic insights into carbon–carbon coupling on NiAu and PdAu single-atom alloys
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Includes: Supplementary data
Journal Articles

The influence of palladium on the hydrogenation of acetylene on Ag(111)

David L. Molina, Mark Muir, Mohammed K. Abdel-Rahman, Michael Trenary
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 184701 (2021)
https://doi.org/10.1063/5.0050587
Published: May 2021
View article titled, The influence of palladium on the hydrogenation of acetylene on Ag(111)
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Includes: Supplementary data
Journal Articles

Describing adsorption of benzene, thiophene, and xenon on coinage metals by using the Zaremba–Kohn theory-based model

Santosh Adhikari, Niraj K. Nepal, Hong Tang, Adrienn Ruzsinszky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 124705 (2021)
https://doi.org/10.1063/5.0042719
Published: March 2021
View article titled, Describing adsorption of benzene, thiophene, and xenon on coinage metals by using the Zaremba–Kohn theory-based model
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Includes: Supplementary data
Journal Articles

Interaction of CO with Pt nanoclusters on a graphene-covered Ru(0001) surface

Dominic A. Esan, Michael Trenary
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 114701 (2021)
https://doi.org/10.1063/5.0042686
Published: March 2021
View article titled, Interaction of CO with Pt nanoclusters on a graphene-covered Ru(0001) surface
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Journal Articles

Adsorption of crotonaldehyde on metal surfaces: Cu vs Pt

Mindika Tilan Nayakasinghe, Jonathan Guerrero-Sánchez, Noboru Takeuchi, Francisco Zaera
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 104701 (2021)
https://doi.org/10.1063/5.0040776
Published: March 2021
View article titled, Adsorption of crotonaldehyde on metal surfaces: Cu vs Pt
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Includes: Supplementary data
Journal Articles

The coverage dependence of the infrared absorption of CO adsorbed to NaCl(100)

Jascha A. Lau, Anna-Maria Schönemann, Dirk Schwarzer, Alec M. Wodtke
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 154703 (2020)
https://doi.org/10.1063/5.0025799
Published: October 2020
View article titled, The coverage dependence of the infrared absorption of CO adsorbed to NaCl(100)
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Includes: Supplementary data
Journal Articles

Spontaneous polarization of thick solid ammonia films

Roey Sagi, Michelle Akerman, Sujith Ramakrishnan, Micha Asscher
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 124707 (2020)
https://doi.org/10.1063/5.0017853
Published: September 2020
View article titled, Spontaneous polarization of thick solid ammonia films
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Includes: Supplementary data
Journal Articles

Chirality detection of surface desorption products using photoelectron circular dichroism

Georg Westphal, Johannes Wega, Rasika E. A. Dissanayake, Tim Schäfer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 054707 (2020)
https://doi.org/10.1063/5.0014917
Published: August 2020
View article titled, Chirality detection of surface desorption products using photoelectron circular dichroism
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Journal Articles

Suppression of nano-hydride growth on Nb(100) due to nitrogen doping

R. Darren Veit, Rachael G. Farber, Nathan S. Sitaraman, Tomas A. Arias, S. J. Sibener
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 214703 (2020)
https://doi.org/10.1063/5.0007042
Published: June 2020
View article titled, Suppression of nano-hydride growth on Nb(100) due to nitrogen doping
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Journal Articles

Formic acid adsorption and decomposition on clean and atomic oxygen pre-covered Cu(100) surfaces

Guihang Li, Weijun Guo, Xiong Zhou, Xin Yu, Junfa Zhu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 114703 (2020)
https://doi.org/10.1063/1.5142586
Published: March 2020
View article titled, Formic acid adsorption and decomposition on clean and atomic oxygen pre-covered Cu(100) surfaces
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Includes: Supplementary data
Journal Articles

The water/ceria(111) interface: Computational overview and new structures

Andreas Röckert, Jolla Kullgren, Peter Broqvist, Seif Alwan, Kersti Hermansson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 104709 (2020)
https://doi.org/10.1063/1.5142724
Published: March 2020
View article titled, The water/ceria(111) interface: Computational overview and new structures
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Journal Articles

Vibrational properties of CO2 adsorbed on the Fe3O4 (111) surface: Insights gained from DFT

Xiaoke Li, Joachim Paier
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 104702 (2020)
https://doi.org/10.1063/1.5136323
Published: March 2020
View article titled, Vibrational properties of CO<sub>2</sub> adsorbed on the Fe<sub>3</sub>O<sub>4</sub> (111) surface: Insights gained from DFT
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Includes: Supplementary data
Journal Articles

Molecular chemisorption of N2 on IrO2(110)

R. Martin, M. Kim, C. J. Lee, M. S. Shariff, F. Feng, R. J. Meyer, A. Asthagiri, J. F. Weaver
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 074712 (2020)
https://doi.org/10.1063/1.5142210
Published: February 2020
View article titled, Molecular chemisorption of N<sub>2</sub> on IrO<sub>2</sub>(110)
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Includes: Supplementary data