Atomically Precise Core-Tailored Metal Chalcogenide Nanoclusters: Tuning the Electronic Structure and Magnetic Properties

Deepika,; Gholipour-Ranjbar, Habib; Fang, Hong; Sertse, Lidya; Laskin, Julia; Jena, Puru

doi:10.1021/acs.jpcc.2c01560

Atomically Precise Core-Tailored Metal Chalcogenide Nanoclusters: Tuning the Electronic Structure and Magnetic Properties

Journal Article · 31 March 2022 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.2c01560· OSTI ID:1978048

Deepika, ^[1]; Gholipour-Ranjbar, Habib ^[2]; ^[3]; Sertse, Lidya ^[4]; ^[2]; ^[3]

Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284, United States; OSTI
Department of Chemistry, Purdue University, West Lafayette, Indiana 47906, United States
Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284, United States
Department of Chemistry, Purdue University, West Lafayette, Indiana 47906, United States; Department of Biological Sciences, Minnesota State University, Mankato, Minnesota 56001, United States

Not provided.

Research Organization:: Virginia Commonwealth Univ., Richmond, VA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-96ER45579;

OSTI ID:: 1978048

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 14 Vol. 126; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (48)

Electronic and Magnetic Properties of Ligand-Free FePt Nanoparticles Boyen, H. -G.; Fauth, K.; Stahl, B. Advanced Materials, Vol. 17, Issue 5 https://doi.org/10.1002/adma.200400748	journal	March 2005
Systematically Tuning the Electronic Structure of Gold Nanoclusters through Ligand Derivatization Cirri, Anthony; Morales Hernández, Hanna; Kmiotek, Christina Angewandte Chemie International Edition, Vol. 58, Issue 39 https://doi.org/10.1002/anie.201907586	journal	August 2019
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L. Journal of Computational Chemistry, Vol. 37, Issue 11 https://doi.org/10.1002/jcc.24300	journal	February 2016
Designing New Metal Chalcogenide Nanoclusters through Atom‐by‐Atom Substitution Gholipour‐Ranjbar, Habib; Fang, Hong; Guan, Jintong Small, Vol. 17, Issue 27 https://doi.org/10.1002/smll.202002927	journal	November 2020
The use of phosphine chalcogenides in the preparation of cobalt chalcogenides Stuczynski, S. M.; Kwon, Y. -U.; Steigerwald, M. L. Journal of Organometallic Chemistry, Vol. 449, Issue 1-2 https://doi.org/10.1016/0022-328X(93)80120-Z	journal	May 1993
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Fundamentals of ion mobility spectrometry Gabelica, Valérie; Marklund, Erik Current Opinion in Chemical Biology, Vol. 42 https://doi.org/10.1016/j.cbpa.2017.10.022	journal	February 2018
Structure determination of gaseous metal and semi-metal cluster ions by ion mobility spectrometry Weis, Patrick International Journal of Mass Spectrometry, Vol. 245, Issue 1-3 https://doi.org/10.1016/j.ijms.2005.06.005	journal	August 2005
First water-soluble Co6S8 cluster: Synthesis and functionalization Anyushin, Alexander V.; Sokolov, Maxim N.; Virovets, Alexander V. Inorganic Chemistry Communications, Vol. 24 https://doi.org/10.1016/j.inoche.2012.07.020	journal	October 2012
Atomic-Level Doping of Metal Clusters Ghosh, Atanu; Mohammed, Omar F.; Bakr, Osman M. Accounts of Chemical Research, Vol. 51, Issue 12 https://doi.org/10.1021/acs.accounts.8b00412	journal	November 2018
Phosphine-Ligated Gold Clusters with Core+ exo Geometries: Unique Properties and Interactions at the Ligand–Cluster Interface Konishi, Katsuaki; Iwasaki, Mitsuhiro; Shichibu, Yukatsu Accounts of Chemical Research, Vol. 51, Issue 12 https://doi.org/10.1021/acs.accounts.8b00477	journal	November 2018
Application of Mass Spectrometry in the Synthesis and Characterization of Metal Nanoclusters Lu, Yizhong; Chen, Wei Analytical Chemistry, Vol. 87, Issue 21 https://doi.org/10.1021/acs.analchem.5b00848	journal	July 2015
Collision-Induced Dissociation Mass Spectrometry: A Powerful Tool for Natural Product Structure Elucidation Johnson, Andrew R.; Carlson, Erin E. Analytical Chemistry, Vol. 87, Issue 21 https://doi.org/10.1021/acs.analchem.5b01543	journal	July 2015
Drift Tube Ion Mobility: How to Reconstruct Collision Cross Section Distributions from Arrival Time Distributions? Marchand, Adrien; Livet, Sandrine; Rosu, Frédéric Analytical Chemistry, Vol. 89, Issue 23 https://doi.org/10.1021/acs.analchem.7b01736	journal	November 2017
Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials Jena, Puru; Sun, Qiang Chemical Reviews, Vol. 118, Issue 11 https://doi.org/10.1021/acs.chemrev.7b00524	journal	May 2018
Atomically Precise Noble Metal Nanoclusters as Efficient Catalysts: A Bridge between Structure and Properties Du, Yuanxin; Sheng, Hongting; Astruc, Didier Chemical Reviews, Vol. 120, Issue 2 https://doi.org/10.1021/acs.chemrev.8b00726	journal	March 2019
The Role of Ligands in the Chemical Synthesis and Applications of Inorganic Nanoparticles Heuer-Jungemann, Amelie; Feliu, Neus; Bakaimi, Ioanna Chemical Reviews, Vol. 119, Issue 8 https://doi.org/10.1021/acs.chemrev.8b00733	journal	March 2019
High Precision Electronic Spectroscopy of Ligand-Protected Gold Nanoclusters: Effects of Composition, Environment, and Ligand Chemistry Cirri, Anthony; Hernández, Hanna Morales; Johnson, Christopher J. The Journal of Physical Chemistry A, Vol. 124, Issue 8 https://doi.org/10.1021/acs.jpca.9b09164	journal	January 2020
Surface Chemistry Controls Magnetism in Cobalt Nanoclusters Hartmann, Michael J.; Millstone, Jill E.; Häkkinen, Hannu The Journal of Physical Chemistry C, Vol. 120, Issue 37 https://doi.org/10.1021/acs.jpcc.6b02126	journal	April 2016
Size Characterization of Glutathione-Protected Gold Nanoclusters in the Solid, Liquid and Gas Phases Soleilhac, Antonin; Bertorelle, Franck; Comby-Zerbino, Clothilde The Journal of Physical Chemistry C, Vol. 121, Issue 49 https://doi.org/10.1021/acs.jpcc.7b09500	journal	December 2017
Structural Characterization of Molybdenum Oxide Nanoclusters Using Ion Mobility Spectrometry–Mass Spectrometry and Infrared Action Spectroscopy Marianski, Mateusz; Seo, Jongcheol; Mucha, Eike The Journal of Physical Chemistry C, Vol. 123, Issue 13 https://doi.org/10.1021/acs.jpcc.8b06985	journal	September 2018
New Advances in Atomically Precise Silver Nanoclusters Yang, Jie; Jin, Rongchao ACS Materials Letters, Vol. 1, Issue 4 https://doi.org/10.1021/acsmaterialslett.9b00246	journal	August 2019
Mono-Mercury Doping of Au ₂₅ and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry Liao, Lingwen; Zhou, Shiming; Dai, Yafei Journal of the American Chemical Society, Vol. 137, Issue 30 https://doi.org/10.1021/jacs.5b03483	journal	July 2015
Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg ₂₄ (SR) ₁₈ ] ^2– (M = Pd, Pt) Clusters Yan, Juanzhu; Su, Haifeng; Yang, Huayan Journal of the American Chemical Society, Vol. 137, Issue 37 https://doi.org/10.1021/jacs.5b07186	journal	September 2015
Sizing and Discovery of Nanosized Polyoxometalate Clusters by Mass Spectrometry Surman, Andrew J.; Robbins, Philip J.; Ujma, Jakub Journal of the American Chemical Society, Vol. 138, Issue 11 https://doi.org/10.1021/jacs.6b00070	journal	March 2016
Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling Journal of the American Chemical Society, Vol. 140, Issue 3 https://doi.org/10.1021/jacs.7b11338	journal	January 2018
Mass Spectrometry of Small Bimetal Monolayer-Protected Clusters Fields-Zinna, Christina A.; Crowe, Matthew C.; Dass, Amala Langmuir, Vol. 25, Issue 13 https://doi.org/10.1021/la803865v	journal	July 2009
Integrity and Structural Characteristics of the M₆E₈ (E=S, Se, Te) Cluster Core: Syntheses and Structures of [Co₆S₈(PR₃)₆]ⁿ⁺ (R=Me₂Ph, n=1; R=OMe, n=0) Kang, Bei-Sheng; Wen, Ting-Bin; Yu, Xiang-Yang Journal of Cluster Science, Vol. 10, Issue 3, p. 429-443 https://doi.org/10.1023/A:1022681127451	journal	January 1999
C60: Buckminsterfullerene Kroto, H. W.; Heath, J. R.; O'Brien, S. C. Nature, Vol. 318, Issue 6042 https://doi.org/10.1038/318162a0	journal	November 1985
The power of ion mobility-mass spectrometry for structural characterization and the study of conformational dynamics Lanucara, Francesco; Holman, Stephen W.; Gray, Christopher J. Nature Chemistry, Vol. 6, Issue 4 https://doi.org/10.1038/nchem.1889	journal	March 2014
A molecule-like PtAu24(SC6H13)18 nanocluster as an electrocatalyst for hydrogen production Kwak, Kyuju; Choi, Woojun; Tang, Qing Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14723	journal	March 2017
Orientational order controls crystalline and amorphous thermal transport in superatomic crystals Ong, Wee-Liat; O’Brien, Evan S.; Dougherty, Patrick S. M. Nature Materials, Vol. 16, Issue 1 https://doi.org/10.1038/nmat4739	journal	September 2016
The emerging interface of mass spectrometry with materials Chakraborty, Papri; Pradeep, Thalappil NPG Asia Materials, Vol. 11, Issue 1 https://doi.org/10.1038/s41427-019-0149-3	journal	September 2019
Superatoms in materials science Doud, Evan A.; Voevodin, Anastasia; Hochuli, Taylor J. Nature Reviews Materials, Vol. 5, Issue 5 https://doi.org/10.1038/s41578-019-0175-3	journal	February 2020
Ion mobility mass spectrometry of proteins and proteinassemblies Uetrecht, Charlotte; Rose, Rebecca J.; van Duijn, Esther Chem. Soc. Rev., Vol. 39, Issue 5 https://doi.org/10.1039/B914002F	journal	January 2010
Understanding ligand effects in gold clusters using mass spectrometry Johnson, Grant E.; Laskin, Julia The Analyst, Vol. 141, Issue 12 https://doi.org/10.1039/C6AN00263C	journal	January 2016
Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry Ligare, Marshall R.; Baker, Erin S.; Laskin, Julia Chemical Communications, Vol. 53, Issue 53 https://doi.org/10.1039/C7CC02251D	journal	January 2017
Ligand mediated evolution of size dependent magnetism in cobalt nanoclusters Hartmann, Michael J.; Millstone, Jill E.; Häkkinen, Hannu Physical Chemistry Chemical Physics, Vol. 20, Issue 6 https://doi.org/10.1039/C7CP06831J	journal	January 2018
Size-dependent stability toward dissociation and ligand binding energies of phosphine ligated gold cluster ions Johnson, Grant E.; Priest, Thomas; Laskin, Julia Chemical Science, Vol. 5, Issue 8 https://doi.org/10.1039/c4sc00849a	journal	January 2014
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Clusters: A bridge across the disciplines of environment, materials science, and biology Castleman, A. W.; Jena, P. Proceedings of the National Academy of Sciences, Vol. 103, Issue 28 https://doi.org/10.1073/pnas.0601780103	journal	July 2006
Electronic Shell Structure and Abundances of Sodium Clusters Knight, W. D.; Clemenger, Keith; de Heer, Walt A. Physical Review Letters, Vol. 52, Issue 24 https://doi.org/10.1103/PhysRevLett.52.2141	journal	June 1984
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Connections Between Theory and Experiment for Gold and Silver Nanoclusters Weerawardene, K. L. Dimuthu M.; Häkkinen, Hannu; Aikens, Christine M. Annual Review of Physical Chemistry, Vol. 69, Issue 1 https://doi.org/10.1146/annurev-physchem-052516-050932	journal	April 2018
Biomolecule Analysis by Ion Mobility Spectrometry Bohrer, Brian C.; Merenbloom, Samuel I.; Koeniger, Stormy L. Annual Review of Analytical Chemistry, Vol. 1, Issue 1 https://doi.org/10.1146/annurev.anchem.1.031207.113001	journal	July 2008
Atomically precise clusters of gold and silver: A new class of nonlinear optical nanomaterials Antoine, Rodolphe Frontier Research Today, Vol. 1 https://doi.org/10.31716/frt.201801001	journal	January 2018
The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds Steinberg, Simon; Dronskowski, Richard Crystals, Vol. 8, Issue 5 https://doi.org/10.3390/cryst8050225	journal	May 2018
A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles Farkaš, Barbara; de Leeuw, Nora H. Materials, Vol. 14, Issue 13 https://doi.org/10.3390/ma14133611	journal	June 2021

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