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Journal Articles

Controlling size and distribution of Au nano-particles on C₃N₄ for high-efficiency photocatalytic hydrogen production

Xunan Ran, Zhihua Chen, Hongzhou Ji, Zhaoyu Ma, Yuxi Xie, Wenping Li, Junying Zhang

J. Chem. Phys. 161, 114707 (2024)

https://doi.org/10.1063/5.0226926

Published: September 2024

View article titled, Controlling size and distribution of Au nano-particles on C3N4 for high-efficiency photocatalytic hydrogen production

Journal Articles

Synthesis of Ni decorated MoO_x nanorod catalysts for efficient overall urea–water splitting

Zhiwei Li, Wenwen Yang, Kun Xiong, Jia Chen, Haidong Zhang, Mingliang Yang, Xing Gan, Yuan Gao

J. Chem. Phys. 160, 214703 (2024)

https://doi.org/10.1063/5.0206432

Published: June 2024

View article titled, Synthesis of Ni decorated MoOx nanorod catalysts for efficient overall urea–water splitting

Journal Articles

Cocatalyst activity mapping for photocatalytic materials revealed by the pattern-illumination time-resolved phase microscopy

Yuta Egawa, Kei Kawaguchi, Zhenhua Pan, Kenji Katayama

J. Chem. Phys. 160, 164705 (2024)

https://doi.org/10.1063/5.0203491

Published: April 2024

View article titled, Cocatalyst activity mapping for photocatalytic materials revealed by the pattern-illumination time-resolved phase microscopy

Includes: Supplementary data

Journal Articles

In-based coordination polymer-derived carbon nanoribbons with abundant CoP nanoparticles in carbon nanotubes for water oxidation

Xiaofang Wang, Yuanyuan Guo, Yanqiong Shen, Jinjie Qian

J. Chem. Phys. 160, 024701 (2024)

https://doi.org/10.1063/5.0185031

Published: January 2024

View article titled, In-based coordination polymer-derived carbon nanoribbons with abundant CoP nanoparticles in carbon nanotubes for water oxidation

Includes: Supplementary data

Journal Articles

Hydroxypyridinate-bridged paddlewheel-type dirhodium complex as a catalyst for photochemical and electrochemical hydrogen evolution

Yusuke Kataoka, Kozo Sato, Natsumi Yano

J. Chem. Phys. 159, 204304 (2023)

https://doi.org/10.1063/5.0173976

Published: November 2023

View article titled, Hydroxypyridinate-bridged paddlewheel-type dirhodium complex as a catalyst for photochemical and electrochemical hydrogen evolution

Includes: Supplementary data

Journal Articles

Performance assessment of hybrid PEMFC-solar energy integrated hybrid multi-generation system for energy production sport buildings

Balakrishna Kethineni, Iskandar Muda, Natalia Prodanova, Shavan Askar, Sherzod Abdullaev, Ali Shamel, Nasser Mikaeilvand

J. Chem. Phys. 159, 174107 (2023)

https://doi.org/10.1063/5.0173984

Published: November 2023

View article titled, Performance assessment of hybrid PEMFC-solar energy integrated hybrid multi-generation system for energy production sport buildings

Journal Articles

Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study

Gwangyoung Lee, Iuegyun Hong, Jeonghwan Ahn, Hyeondeok Shin, Anouar Benali, Yongkyung Kwon

J. Chem. Phys. 157, 144703 (2022)

https://doi.org/10.1063/5.0116092

Published: October 2022

View article titled, Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study

Includes: Supplementary data

Journal Articles

Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)

Yi-Cheng Huang, Hung-Yu Yen, Liang-Wei Lan, D. Dutta, A. Rahmah, Yu-Ling Lai, Yao-Jane Hsu, Chien-Cheng Kuo, Jeng-Han Wang, Meng-Fan Luo

J. Chem. Phys. 155, 074701 (2021)

https://doi.org/10.1063/5.0060529

Published: August 2021

View article titled, Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)

Includes: Supplementary data

Journal Articles

The role of sub-surface hydrogen on CO₂ reduction and dynamics on Ni(110): An ab initio molecular dynamics study

Sarah I. Allec, Manh-Thuong Nguyen, Roger Rousseau, Vassiliki-Alexandra Glezakou

J. Chem. Phys. 155, 044702 (2021)

https://doi.org/10.1063/5.0048894

Published: July 2021

View article titled, The role of sub-surface hydrogen on CO2 reduction and dynamics on Ni(110): An ab initio molecular dynamics study

Includes: Supplementary data

Journal Articles

Rationalization of promoted reverse water gas shift reaction by Pt₃Ni alloy: Essential contribution from ensemble effect

Hong Zhang, Xuelong Wang, Anatoly I. Frenkel, Ping Liu

J. Chem. Phys. 154, 014702 (2021)

https://doi.org/10.1063/5.0037886

Published: January 2021

View article titled, Rationalization of promoted reverse water gas shift reaction by Pt3Ni alloy: Essential contribution from ensemble effect

Includes: Supplementary data

Journal Articles

Heterojunction of CuO nanoclusters with TiO₂ for photo-oxidation of organic compounds and for hydrogen production

Maria Guadalupe Méndez-Medrano, Ewa Kowalska, Bunsho Ohtani, Daniel Bahena Uribe, Christophe Colbeau-Justin, Sven Rau, José Luis Rodríguez-López, Hynd Remita

J. Chem. Phys. 153, 034705 (2020)

https://doi.org/10.1063/5.0015277

Published: July 2020

View article titled, Heterojunction of CuO nanoclusters with TiO2 for photo-oxidation of organic compounds and for hydrogen production

Includes: Supplementary data

Journal Articles

Oxygen doped MoS₂ quantum dots for efficient electrocatalytic hydrogen generation

Juan Peng, Xueping Yu, Yang Meng, Huiteng Tan, Pin Song, Zheng Liu, Qingyu Yan

J. Chem. Phys. 152, 134704 (2020)

https://doi.org/10.1063/1.5142204

Published: April 2020

View article titled, Oxygen doped MoS2 quantum dots for efficient electrocatalytic hydrogen generation

Includes: Supplementary data

Journal Articles

Influence of 3d, 4d, and 5d dopants on the oxygen evolution reaction at α -Fe₂O₃(0001) under dark and illumination conditions

Hamidreza Hajiyani, Rossitza Pentcheva

J. Chem. Phys. 152, 124709 (2020)

https://doi.org/10.1063/1.5143236

Published: March 2020

View article titled, Influence of 3d, 4d, and 5d dopants on the oxygen evolution reaction at α -Fe2O3(0001) under dark and illumination conditions

Includes: Supplementary data

Journal Articles

Growth and structural studies of In/Au(111) alloys and InO_x/Au(111) inverse oxide/metal model catalysts

Jindong Kang, Mausumi Mahapatra, Ning Rui, Ivan Orozco, Rui Shi, Sanjaya D. Senanayake, José A. Rodriguez

J. Chem. Phys. 152, 054702 (2020)

https://doi.org/10.1063/1.5139237

Published: February 2020

View article titled, Growth and structural studies of In/Au(111) alloys and InOx/Au(111) inverse oxide/metal model catalysts

Journal Articles

Heteroatom doping effects on interaction of H₂O and CeO₂ (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion

Kota Murakami, Shuhei Ogo, Atsushi Ishikawa, Yuna Takeno, Takuma Higo, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine

J. Chem. Phys. 152, 014707 (2020)

https://doi.org/10.1063/1.5138670

Published: January 2020

View article titled, Heteroatom doping effects on interaction of H2O and CeO2 (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion

Includes: Supplementary data

Journal Articles

Composition effect on the carrier dynamics and catalytic performance of CuInS₂/ZnS quantum dots for light driven hydrogen generation

Wenhui Hu, Sizhuo Yang, Jier Huang

J. Chem. Phys. 151, 214705 (2019)

https://doi.org/10.1063/1.5125024

Published: December 2019

View article titled, Composition effect on the carrier dynamics and catalytic performance of CuInS2/ZnS quantum dots for light driven hydrogen generation

Includes: Supplementary data

Journal Articles

Size dependence of photocatalytic hydrogen generation for CdTe quantum dots

Jiajia Yin, Nicole M. B. Cogan, Rebeckah Burke, Zhentao Hou, Kelly L. Sowers, Todd D. Krauss

J. Chem. Phys. 151, 174707 (2019)

https://doi.org/10.1063/1.5125000

Published: November 2019

View article titled, Size dependence of photocatalytic hydrogen generation for CdTe quantum dots

Includes: Supplementary data

Journal Articles

Self-limited growth of an oxyhydroxide phase at the Fe₃O₄(001) surface in liquid and ambient pressure water

Florian Kraushofer, Francesca Mirabella, Jian Xu, Jiří Pavelec, Jan Balajka, Matthias Müllner, Nikolaus Resch, Zdeněk Jakub, Jan Hulva, Matthias Meier, Michael Schmid, Ulrike Diebold, Gareth S. Parkinson

J. Chem. Phys. 151, 154702 (2019)

https://doi.org/10.1063/1.5116652

Published: October 2019

View article titled, Self-limited growth of an oxyhydroxide phase at the Fe3O4(001) surface in liquid and ambient pressure water

Includes: Supplementary data

Journal Articles

Insight into hydrogen production through molecular simulation of an electrode-ionomer electrolyte system

R. E. Jones, W. C. Tucker, M. J. L. Mills, S. Mukerjee

J. Chem. Phys. 151, 034702 (2019)

https://doi.org/10.1063/1.5097609

Published: July 2019

View article titled, Insight into hydrogen production through molecular simulation of an electrode-ionomer electrolyte system

Journal Articles

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

Stephan Lany

J. Chem. Phys. 148, 071101 (2018)

https://doi.org/10.1063/1.5022176

Published: February 2018

View article titled, Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

NARROW

Topics

Controlling size and distribution of Au nano-particles on C₃N₄ for high-efficiency photocatalytic hydrogen production

Synthesis of Ni decorated MoO_x nanorod catalysts for efficient overall urea–water splitting

Cocatalyst activity mapping for photocatalytic materials revealed by the pattern-illumination time-resolved phase microscopy

In-based coordination polymer-derived carbon nanoribbons with abundant CoP nanoparticles in carbon nanotubes for water oxidation

Hydroxypyridinate-bridged paddlewheel-type dirhodium complex as a catalyst for photochemical and electrochemical hydrogen evolution

Performance assessment of hybrid PEMFC-solar energy integrated hybrid multi-generation system for energy production sport buildings

Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study

Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)

The role of sub-surface hydrogen on CO₂ reduction and dynamics on Ni(110): An ab initio molecular dynamics study

Rationalization of promoted reverse water gas shift reaction by Pt₃Ni alloy: Essential contribution from ensemble effect

Heterojunction of CuO nanoclusters with TiO₂ for photo-oxidation of organic compounds and for hydrogen production

Oxygen doped MoS₂ quantum dots for efficient electrocatalytic hydrogen generation

Influence of 3d, 4d, and 5d dopants on the oxygen evolution reaction at α -Fe₂O₃(0001) under dark and illumination conditions

Growth and structural studies of In/Au(111) alloys and InO_x/Au(111) inverse oxide/metal model catalysts

Heteroatom doping effects on interaction of H₂O and CeO₂ (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion

Composition effect on the carrier dynamics and catalytic performance of CuInS₂/ZnS quantum dots for light driven hydrogen generation

Size dependence of photocatalytic hydrogen generation for CdTe quantum dots

Self-limited growth of an oxyhydroxide phase at the Fe₃O₄(001) surface in liquid and ambient pressure water

Insight into hydrogen production through molecular simulation of an electrode-ionomer electrolyte system

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

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