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Journal Articles

Prediction of a novel two-dimensional superatomic Cd6S2 monolayer for photocatalytic water splitting

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Zhifang Wang, Zaijun Gui, Chen Yan, Dan Li, Qinqin Yuan, Longjiu Cheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134704 (2024)
https://doi.org/10.1063/5.0222309
Published: October 2024
View articletitled, Prediction of a novel two-dimensional superatomic Cd6S2 monolayer for photocatalytic water splitting
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Journal Articles

Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8

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Cecilia M. S. Alvares, Rocio Semino
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094115 (2024)
https://doi.org/10.1063/5.0190807
Published: March 2024
View articletitled, Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8
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Includes: Supplementary data
Journal Articles

High-pressure-induced electronic and structural transition of superatoms

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Rui Wang, Zhonghua Liu, Famin Yu, Jiarui Li, Zhigang Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244702 (2023)
https://doi.org/10.1063/5.0152485
Published: June 2023
View articletitled, High-pressure-induced electronic and structural transition of superatoms
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Includes: Supplementary data
Journal Articles

Spin–orbit coupling corrections for the GFN-xTB method

Open Access
Gautam Jha, Thomas Heine
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 044120 (2023)
https://doi.org/10.1063/5.0129071
Published: January 2023
View articletitled, Spin–orbit coupling corrections for the GFN-xTB method
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Includes: Supplementary data
Journal Articles

The nature of supermolecular bonds: Investigating hydrocarbon linked beryllium solvated electron precursors

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Benjamin A. Jackson, Evangelos Miliordos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 194302 (2022)
https://doi.org/10.1063/5.0089815
Published: May 2022
View articletitled, The nature of supermolecular bonds: Investigating hydrocarbon linked beryllium solvated electron precursors
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Includes: Supplementary data
Journal Articles

From atom-precise nanoclusters to superatom materials

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Christine M. Aikens, Rongchao Jin, Xavier Roy, Tatsuya Tsukuda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 170401 (2022)
https://doi.org/10.1063/5.0095770
Published: May 2022
View articletitled, From atom-precise nanoclusters to superatom materials
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Journal Articles

Bimetallic superalkali substitution in the CsPbBr3 perovskite: Pseudocubic phases and tunable bandgap

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Celina Sikorska, Nicola Gaston
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 174307 (2021)
https://doi.org/10.1063/5.0067708
Published: November 2021
View articletitled, Bimetallic superalkali substitution in the CsPbBr3 perovskite: Pseudocubic phases and tunable bandgap
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Includes: Supplementary data
Journal Articles

Photophysics of Ag and Au alloys of M25(SR)18 clusters

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Goonay Yousefalizadeh, Kevin G. Stamplecoskie
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 134301 (2021)
https://doi.org/10.1063/5.0059624
Published: October 2021
View articletitled, Photophysics of Ag and Au alloys of M25(SR)18 clusters
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Includes: Supplementary data
Journal Articles

Emergent electronic properties in Co-deposited superatomic clusters

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Holger Fiedler, Julia Schacht, Lukas Hammerschmidt, Vladimir Golovko, Nicola Gaston, Jonathan E. Halpert
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 124309 (2021)
https://doi.org/10.1063/5.0060302
Published: September 2021
View articletitled, Emergent electronic properties in Co-deposited superatomic clusters
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Includes: Supplementary data
Journal Articles

A comparative study of structural, electronic, and optical properties of thiolated gold clusters with icosahedral vs face-centered cubic cores

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Maho Miyamoto, Tetsuya Taketsugu, Takeshi Iwasa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 094304 (2021)
https://doi.org/10.1063/5.0057566
Published: September 2021
View articletitled, A comparative study of structural, electronic, and optical properties of thiolated gold clusters with icosahedral vs face-centered cubic cores
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Journal Articles

The synthesis and characterization of a new diphosphine-protected gold hydride nanocluster

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Jia Dong, Ze-Hua Gao, Lai-Sheng Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 034307 (2021)
https://doi.org/10.1063/5.0056958
Published: July 2021
View articletitled, The synthesis and characterization of a new diphosphine-protected gold hydride nanocluster
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Includes: Supplementary data
Journal Articles

Understanding the interaction between carboxylates and coinage metals from first principles

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Tongyu Liu, De-en Jiang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 034301 (2021)
https://doi.org/10.1063/5.0053045
Published: July 2021
View articletitled, Understanding the interaction between carboxylates and coinage metals from first principles
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Includes: Supplementary data
Journal Articles

[Ag23Pd2(PPh3)10Cl7]: A new family of synthesizable bi-icosahedral superatomic molecules

Open Access
Sakiat Hossain, Sayuri Miyajima, Takeshi Iwasa, Ryo Kaneko, Taishu Sekine, Ayaka Ikeda, Tokuhisa Kawawaki, Tetsuya Taketsugu, Yuichi Negishi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 024302 (2021)
https://doi.org/10.1063/5.0057005
Published: July 2021
View articletitled, [Ag23Pd2(PPh3)10Cl7]: A new family of synthesizable bi-icosahedral superatomic molecules
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Includes: Supplementary data
Journal Articles

An Au2S network model for exploring the structural origin, evolution, and two-electron (2e−) reduction growth mechanism of Aun(SR)m clusters

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Pu Wang, Jiao Peng, Yong Pei
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 244308 (2021)
https://doi.org/10.1063/5.0047886
Published: June 2021
View articletitled, An Au2S network model for exploring the structural origin, evolution, and two-electron (2e−) reduction growth mechanism of Aun(SR)m clusters
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Includes: Supplementary data
Journal Articles

More than little fragments of matter: Electronic and molecular structures of clusters

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Jarrett L. Mason, Carley N. Folluo, Caroline Chick Jarrold
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 200901 (2021)
https://doi.org/10.1063/5.0054222
Published: May 2021
View articletitled, More than little fragments of matter: Electronic and molecular structures of clusters
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Journal Articles

A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGen− (n = 3–14) clusters

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Yi-Wei Fan, Xiang-Yu Kong, Li-Juan Zhao, Huai-Qian Wang, Hui-Fang Li, Qian Zhan, Biao Xie, Hong-Guang Xu, Wei-Jun Zheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204302 (2021)
https://doi.org/10.1063/5.0053414
Published: May 2021
View articletitled, A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGen− (n = 3–14) clusters
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Includes: Supplementary data
Journal Articles

Cubic aromaticity in ligand-stabilized doped Au superatoms

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Omar López-Estrada, Elli Selenius, Bernardo Zuniga-Gutierrez, Sami Malola, Hannu Häkkinen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204303 (2021)
https://doi.org/10.1063/5.0050127
Published: May 2021
View articletitled, Cubic aromaticity in ligand-stabilized doped Au superatoms
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Includes: Supplementary data
Journal Articles

N4Mg6M (M = Li, Na, K) superalkalis for CO2 activation

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Celina Sikorska, Nicola Gaston
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 144301 (2020)
https://doi.org/10.1063/5.0025545
Published: October 2020
View articletitled, N4Mg6M (M = Li, Na, K) superalkalis for CO2 activation
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Includes: Supplementary data
Journal Articles

Superatom spin-state dynamics of structurally precise metal monolayer-protected clusters (MPCs)

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Lenzi J. Williams, Patrick J. Herbert, Marcus A. Tofanelli, Christopher J. Ackerson, Kenneth L. Knappenberger, Jr.
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 101102 (2019)
https://doi.org/10.1063/1.5090508
Published: March 2019
View articletitled, Superatom spin-state dynamics of structurally precise metal monolayer-protected clusters (MPCs)
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Journal Articles

Structural evolution and bonding properties of BSi n − / (n = 4–12) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations

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Sheng-Jie Lu, Xi-Ling Xu, Guo-Jin Cao, Hong-Guang Xu, Wei-Jun Zheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 174314 (2018)
https://doi.org/10.1063/1.5052559
Published: November 2018
View articletitled, Structural evolution and bonding properties of BSi n − / (n = 4–12) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations
Open the PDF for Structural evolution and bonding properties of BSi n − / (n = 4–12) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations in another window
Includes: Supplementary data