Chemical Insights into the Formation of Metastable Zinc Cobalt Sulfide Solid-Solution Nanoparticles through Simultaneous Multi-Cation Exchange

McCormick, Connor R.; Baksa, Steven M.; Veglak, Joseph M.; Dabo, Ismaila; Schaak, Raymond E.

doi:10.1021/acs.chemmater.3c00763

Chemical Insights into the Formation of Metastable Zinc Cobalt Sulfide Solid-Solution Nanoparticles through Simultaneous Multi-Cation Exchange

Journal Article · 30 June 2023 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.3c00763· OSTI ID:2421735

McCormick, Connor R. ^[1]; Baksa, Steven M. ^[2]; Veglak, Joseph M. ^[1]; ^[3]; ^[4]

Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, United States
Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States
Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States; Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States
Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, United States; Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States; Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

Not provided.

View Accepted Manuscript (DOE)

Research Organization:: Pennsylvania State Univ., University Park, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0021118

OSTI ID:: 2421735

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 14 Vol. 35; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (65)

ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions Ångqvist, Mattias; Muñoz, William A.; Rahm, J. Magnus Advanced Theory and Simulations, Vol. 2, Issue 7 https://doi.org/10.1002/adts.201900015	journal	May 2019
Structure‐Selective Cation Exchange in the Synthesis of Zincblende MnS and CoS Nanocrystals Fenton, Julie L.; Schaak, Raymond E. Angewandte Chemie International Edition, Vol. 56, Issue 23 https://doi.org/10.1002/anie.201701087	journal	May 2017
Zinc Cobalt Sulfide Microspheres as a High‐Performance Electrode Material for Supercapacitors Gao, Xueyan; Chang, Qin; Hong, Juan ChemistrySelect, Vol. 3, Issue 48 https://doi.org/10.1002/slct.201803095	journal	December 2018
Effect of Cobalt doping on ZnS nanoparticles synthesized by microwave irradiation Patel, Kamakshi; Deshpande, M. P.; Chaki, S. H. Journal of Materials Science: Materials in Electronics, Vol. 28, Issue 6 https://doi.org/10.1007/s10854-016-6159-9	journal	December 2016
Nature of the absorption bands in Zn1−xCoxS Martinez, L.; Lopez-Rivera, S. A.; Giriat, W. Journal of Crystal Growth, Vol. 138, Issue 1-4 https://doi.org/10.1016/0022-0248(94)90931-8	journal	April 1994
Phase studies in the systems CoS1bMnS, CoS1bZnS, and CoS1bCdS Becker, W.; Lutz, H. D. Materials Research Bulletin, Vol. 13, Issue 9 https://doi.org/10.1016/0025-5408(78)90102-2	journal	September 1978
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table van Setten, M. J.; Giantomassi, M.; Bousquet, E. Computer Physics Communications, Vol. 226 https://doi.org/10.1016/j.cpc.2018.01.012	journal	May 2018
Zinc cobalt sulfide nanoparticles as high performance electrode material for asymmetric supercapacitor Li, Hao; Li, Zhijie; Sun, Mengxuan Electrochimica Acta, Vol. 319 https://doi.org/10.1016/j.electacta.2019.07.033	journal	October 2019
Room temperature ferromagnetism in Zn1−Co S thin films with wurtzite structure Patel, Shiv P.; Pivin, J. C.; Chawla, A. K. Journal of Magnetism and Magnetic Materials, Vol. 323, Issue 22 https://doi.org/10.1016/j.jmmm.2011.05.057	journal	November 2011
Zinc–cobalt bimetallic sulfide anchored on the surface of reduced graphene oxide used as anode for lithium ion battery Yu, Kaifeng; Wang, Jinyang; Wang, Xiaofeng Journal of Solid State Chemistry, Vol. 290 https://doi.org/10.1016/j.jssc.2020.121619	journal	October 2020
ZnS nanostructures: From synthesis to applications Fang, Xiaosheng; Zhai, Tianyou; Gautam, Ujjal K. Progress in Materials Science, Vol. 56, Issue 2 https://doi.org/10.1016/j.pmatsci.2010.10.001	journal	February 2011
Experimental Insights into Partial Cation Exchange Reactions for Synthesizing Heterostructured Metal Sulfide Nanocrystals Steimle, Benjamin C.; Fagan, Abigail M.; Butterfield, Auston G. Chemistry of Materials, Vol. 32, Issue 13 https://doi.org/10.1021/acs.chemmater.0c01388	journal	June 2020
Postsynthetic Thiol-Induced Reshaping of Copper Sulfide Nanoparticles Young, Haley L.; McCormick, Connor R.; Butterfield, Auston G. Chemistry of Materials, Vol. 34, Issue 24 https://doi.org/10.1021/acs.chemmater.2c03049	journal	December 2022
Kuramite Cu ₃ SnS ₄ and Mohite Cu ₂ SnS ₃ Nanoplatelet Synthesis Using Covellite CuS Templates with Sn(II) and Sn(IV) Sources Liu, Yang; Liu, Maixian; Yin, Deqiang Chemistry of Materials, Vol. 29, Issue 8 https://doi.org/10.1021/acs.chemmater.6b05428	journal	April 2017
Effects of Copper Precursor Reactivity on the Shape and Phase of Copper Sulfide Nanocrystals Zhai, You; Shim, Moonsub Chemistry of Materials, Vol. 29, Issue 5 https://doi.org/10.1021/acs.chemmater.7b00461	journal	March 2017
Lattice Strain and Ligand Effects on the Formation of Cu_2–xS/I-III-VI₂ Nanorod Heterostructures through Partial Cation Exchange Zhai, You; Flanagan, Joseph C.; Shim, Moonsub Chemistry of Materials, Vol. 29, Issue 14 https://doi.org/10.1021/acs.chemmater.7b02392	journal	July 2017
Tuning the Composition of Multicomponent Semiconductor Nanocrystals: The Case of I–III–VI Materials Yarema, Olesya; Yarema, Maksym; Wood, Vanessa Chemistry of Materials, Vol. 30, Issue 5 https://doi.org/10.1021/acs.chemmater.7b04710	journal	February 2018
Extending the Spectral Range of Double-Heterojunction Nanorods by Cation Exchange-Induced Alloying Flanagan, Joseph C.; Keating, Logan P.; Kalasad, Muttanagoud N. Chemistry of Materials, Vol. 31, Issue 22 https://doi.org/10.1021/acs.chemmater.9b02615	journal	October 2019
Forging Colloidal Nanostructures via Cation Exchange Reactions De Trizio, Luca; Manna, Liberato Chemical Reviews, Vol. 116, Issue 18 https://doi.org/10.1021/acs.chemrev.5b00739	journal	February 2016
Compound Copper Chalcogenide Nanocrystals Coughlan, Claudia; Ibáñez, Maria; Dobrozhan, Oleksandr Chemical Reviews, Vol. 117, Issue 9 https://doi.org/10.1021/acs.chemrev.6b00376	journal	April 2017
Recent Advances on Alloyed Quantum Dots for Photocatalytic Hydrogen Evolution: A Mini-Review Prusty, Deeptimayee; Paramanik, Lekha; Parida, Kulamani Energy & Fuels, Vol. 35, Issue 6 https://doi.org/10.1021/acs.energyfuels.0c04163	journal	March 2021
Structure-Selective Synthesis of Wurtzite and Zincblende ZnS, CdS, and CuInS ₂ Using Nanoparticle Cation Exchange Reactions Fenton, Julie L.; Steimle, Benjamin C.; Schaak, Raymond E. Inorganic Chemistry, Vol. 58, Issue 1 https://doi.org/10.1021/acs.inorgchem.8b02880	journal	December 2018
Tolman’s Electronic Parameter of the Ligand Predicts Phase in the Cation Exchange to CuFeS ₂ Nanoparticles Sharp, Christopher G.; Leach, Alice D. P.; Macdonald, Janet E. Nano Letters, Vol. 20, Issue 12 https://doi.org/10.1021/acs.nanolett.0c03122	journal	September 2020
Statistical Multiobjective Optimization of Thiospinel CoNi ₂ S ₄ Nanocrystal Synthesis via Design of Experiments Williamson, Emily M.; Tappan, Bryce A.; Mora-Tamez, Lucía ACS Nano, Vol. 15, Issue 6 https://doi.org/10.1021/acsnano.1c00502	journal	April 2021
Tailoring Cu ⁺ for Ga ³⁺ Cation Exchange in Cu _{2– x} S and CuInS ₂ Nanocrystals by Controlling the Ga Precursor Chemistry Hinterding, Stijn O. M.; Berends, Anne C.; Kurttepeli, Mert ACS Nano, Vol. 13, Issue 11 https://doi.org/10.1021/acsnano.9b05337	journal	October 2019
Composition-Tunable Alloyed Semiconductor Nanocrystals Regulacio, Michelle D.; Han, Ming-Yong Accounts of Chemical Research, Vol. 43, Issue 5 https://doi.org/10.1021/ar900242r	journal	May 2010
Strongly Fluorescent Quaternary Cu–In–Zn–S Nanocrystals Prepared from Cu _{1- x} InS ₂ Nanocrystals by Partial Cation Exchange De Trizio, Luca; Prato, Mirko; Genovese, Alessandro Chemistry of Materials, Vol. 24, Issue 12 https://doi.org/10.1021/cm301211e	journal	June 2012
Luminescent CuInS ₂ Quantum Dots by Partial Cation Exchange in Cu _{2– x} S Nanocrystals van der Stam, Ward; Berends, Anne C.; Rabouw, Freddy T. Chemistry of Materials, Vol. 27, Issue 2 https://doi.org/10.1021/cm504340h	journal	January 2015
Zn _{1– x} Cd _x S Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H ₂ -Production Activity Li, Qin; Meng, Huan; Zhou, Peng ACS Catalysis, Vol. 3, Issue 5 https://doi.org/10.1021/cs4000975	journal	April 2013
Synthesis of Shape-Controlled Monodisperse Wurtzite CuIn _x Ga _{1– x} S ₂ Semiconductor Nanocrystals with Tunable Band Gap Wang, Yu-Hsiang A.; Zhang, Xiaoyan; Bao, Ningzhong Journal of the American Chemical Society, Vol. 133, Issue 29 https://doi.org/10.1021/ja203933e	journal	July 2011
Sn Cation Valency Dependence in Cation Exchange Reactions Involving Cu _2-x Se Nanocrystals De Trizio, Luca; Li, Hongbo; Casu, Alberto Journal of the American Chemical Society, Vol. 136, Issue 46 https://doi.org/10.1021/ja508161c	journal	November 2014
Simultaneous Multication Exchange Pathway to High-Entropy Metal Sulfide Nanoparticles McCormick, Connor R.; Schaak, Raymond E. Journal of the American Chemical Society, Vol. 143, Issue 2 https://doi.org/10.1021/jacs.0c11384	journal	January 2021
Emergence and Control of Stacking Fault Formation during Nanoparticle Cation Exchange Reactions Butterfield, Auston G.; Alameda, Lucas T.; Schaak, Raymond E. Journal of the American Chemical Society, Vol. 143, Issue 4 https://doi.org/10.1021/jacs.0c13072	journal	January 2021
Morphology-Dependent Phase Selectivity of Cobalt Sulfide during Nanoparticle Cation Exchange Reactions Butterfield, Auston G.; McCormick, Connor R.; Veglak, Joseph M. Journal of the American Chemical Society, Vol. 143, Issue 21 https://doi.org/10.1021/jacs.1c03478	journal	May 2021
Cu Vacancies Boost Cation Exchange Reactions in Copper Selenide Nanocrystals Lesnyak, Vladimir; Brescia, Rosaria; Messina, Gabriele C. Journal of the American Chemical Society, Vol. 137, Issue 29 https://doi.org/10.1021/jacs.5b03868	journal	July 2015
Preserving Both Anion and Cation Sublattice Features during a Nanocrystal Cation-Exchange Reaction: Synthesis of Metastable Wurtzite-Type CoS and MnS Powell, Anna E.; Hodges, James M.; Schaak, Raymond E. Journal of the American Chemical Society, Vol. 138, Issue 2 https://doi.org/10.1021/jacs.5b10624	journal	January 2016
Exploiting Crystallographic Regioselectivity To Engineer Asymmetric Three-Component Colloidal Nanoparticle Isomers Using Partial Cation Exchange Reactions Fenton, Julie L.; Steimle, Benjamin C.; Schaak, Raymond E. Journal of the American Chemical Society, Vol. 140, Issue 22 https://doi.org/10.1021/jacs.8b03338	journal	May 2018
Cation Exchange: A Versatile Tool for Nanomaterials Synthesis Beberwyck, Brandon J.; Surendranath, Yogesh; Alivisatos, A. Paul The Journal of Physical Chemistry C, Vol. 117, Issue 39 https://doi.org/10.1021/jp405989z	journal	September 2013
Sequential Cation Exchange in Nanocrystals: Preservation of Crystal Phase and Formation of Metastable Phases Li, Hongbo; Zanella, Marco; Genovese, Alessandro Nano Letters, Vol. 11, Issue 11 https://doi.org/10.1021/nl202927a	journal	November 2011
Alloyed Copper Chalcogenide Nanoplatelets via Partial Cation Exchange Reactions Lesnyak, Vladimir; George, Chandramohan; Genovese, Alessandro ACS Nano, Vol. 8, Issue 8 https://doi.org/10.1021/nn502906z	journal	July 2014
From Binary Cu ₂ S to Ternary Cu–In–S and Quaternary Cu–In–Zn–S Nanocrystals with Tunable Composition via Partial Cation Exchange Akkerman, Quinten A.; Genovese, Alessandro; George, Chandramohan ACS Nano, Vol. 9, Issue 1 https://doi.org/10.1021/nn505786d	journal	January 2015
Combinatorial cation exchange for the discovery and rational synthesis of heterostructured nanorods McCormick, Connor R.; Katzbaer, Rowan R.; Steimle, Benjamin C. Nature Synthesis, Vol. 2, Issue 2 https://doi.org/10.1038/s44160-022-00203-4	journal	January 2023
Controlled synthesis of zinc cobalt sulfide nanostructures in oil phase and their potential applications in electrochemical energy storage Yang, Jun; Zhang, Yu; Sun, Chencheng Journal of Materials Chemistry A, Vol. 3, Issue 21 https://doi.org/10.1039/c5ta01739d	journal	January 2015
Zinc cobalt sulfide nanosheets grown on nitrogen-doped graphene/carbon nanotube film as a high-performance electrode for supercapacitors Tong, Hao; Bai, Wenlong; Yue, Shihong Journal of Materials Chemistry A, Vol. 4, Issue 29 https://doi.org/10.1039/c6ta02249a	journal	January 2016
Phase-pure pentlandite Ni _4.3 Co _4.7 S ₈ binary sulfide as an efficient bifunctional electrocatalyst for oxygen evolution and hydrogen evolution Tang, Yongfu; Yang, Hongbin; Sun, Jiaojiao Nanoscale, Vol. 10, Issue 22 https://doi.org/10.1039/c8nr02402b	journal	January 2018
Direct cation exchange of CdSe nanocrystals into ZnSe enabled by controlled binding between guest cations and organic ligands Lee, Sooho; Yoon, Da-Eun; Kim, Dahin Nanoscale, Vol. 11, Issue 32 https://doi.org/10.1039/c9nr05195c	journal	January 2019
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Relationship between the coprecipitation mechanism, doping structure and physical properties of Zn _{1− x} Co _x S nanocrystallites Ren, Guoqiang; Lin, Zhang; Wang, Chen Nanotechnology, Vol. 18, Issue 3 https://doi.org/10.1088/0957-4484/18/3/035705	journal	January 2007
Advanced capabilities for materials modelling with Quantum ESPRESSO Giannozzi, P.; Andreussi, O.; Brumme, T. Journal of Physics: Condensed Matter, Vol. 29, Issue 46 https://doi.org/10.1088/1361-648x/aa8f79	journal	October 2017
Density-functional exchange-energy approximation with correct asymptotic behavior Becke, A. D. Physical Review A, Vol. 38, Issue 6 https://doi.org/10.1103/physreva.38.3098	journal	September 1988
Beyond the local-density approximation in calculations of ground-state electronic properties Langreth, David C.; Mehl, M. J. Physical Review B, Vol. 28, Issue 4 https://doi.org/10.1103/physrevb.28.1809	journal	August 1983
Magnetic exchange interactions in Co-based II-VI diluted magnetic semiconductors: Zn 1 − x Co x S Giebultowicz, T. M.; Klosowski, P.; Rhyne, J. J. Physical Review B, Vol. 41, Issue 1 https://doi.org/10.1103/physrevb.41.504	journal	January 1990
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Perdew, John P.; Chevary, J. A.; Vosko, S. H. Physical Review B, Vol. 46, Issue 11 https://doi.org/10.1103/physrevb.46.6671	journal	September 1992
Algorithm for generating derivative structures Hart, Gus L. W.; Forcade, Rodney W. Physical Review B, Vol. 77, Issue 22 https://doi.org/10.1103/physrevb.77.224115	journal	June 2008
Generating derivative structures from multilattices: Algorithm and application to hcp alloys Hart, Gus L. W.; Forcade, Rodney W. Physical Review B, Vol. 80, Issue 1 https://doi.org/10.1103/physrevb.80.014120	journal	July 2009
Optimized norm-conserving Vanderbilt pseudopotentials Hamann, D. R. Physical Review B, Vol. 88, Issue 8 https://doi.org/10.1103/physrevb.88.085117	journal	August 2013
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
u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction Kisi, E. H.; Elcombe, M. M. Acta Crystallographica Section C Crystal Structure Communications, Vol. 45, Issue 12 https://doi.org/10.1107/s0108270189004269	journal	December 1989
Effective ionic radii in oxides and fluorides Shannon, R. D.; Prewitt, C. T. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 25, Issue 5 https://doi.org/10.1107/s0567740869003220	journal	May 1969
Reproducibility in density functional theory calculations of solids Lejaeghere, K.; Bihlmayer, G.; Bjorkman, T. Science, Vol. 351, Issue 6280 https://doi.org/10.1126/science.aad3000	journal	March 2016
Tunable intraparticle frameworks for creating complex heterostructured nanoparticle libraries Fenton, Julie L.; Steimle, Benjamin C.; Schaak, Raymond E. Science, Vol. 360, Issue 6388 https://doi.org/10.1126/science.aar5597	journal	May 2018
Rational construction of a scalable heterostructured nanorod megalibrary Steimle, Benjamin C.; Fenton, Julie L.; Schaak, Raymond E. Science, Vol. 367, Issue 6476 https://doi.org/10.1126/science.aaz1172	journal	January 2020
Determinants of crystal structure transformation of ionic nanocrystals in cation exchange reactions Li, Zhanzhao; Saruyama, Masaki; Asaka, Toru Science, Vol. 373, Issue 6552 https://doi.org/10.1126/science.abh2741	journal	July 2021
The crystal structures of low chalcocite and djurleite * Evans, Howard T. Zeitschrift für Kristallographie, Vol. 150, Issue 1-4 https://doi.org/10.1524/zkri.1979.150.1-4.299	journal	January 1979
THE CRYSTAL STRUCTURE OF ROXBYITE, Cu58S32 Mumme, W. G.; Gable, R. W.; Petricek, V. The Canadian Mineralogist, Vol. 50, Issue 2 https://doi.org/10.3749/canmin.50.2.423	journal	April 2012

Similar Records

Simultaneous Insight into Dissolution and Aggregation of Metal Sulfide Nanoparticles through Single-Particle Inductively Coupled Plasma Mass Spectrometry

Journal Article · 2022 · ACS Earth and Space Chemistry · OSTI ID:1978330

Sulfidation Mechanism for Zinc Oxide Nanoparticles and the Effect of Sulfidation on Their Solubility

Journal Article · 2015 · Environ. Sci. Tech. 47:2527-2534,2013 · OSTI ID:1209132

Sulfidation Mechanism for Zinc Oxide Nanoparticles and the Effect of Sulfidation on Their Solubility

Journal Article · 2013 · Environ. Sci. Technol. · OSTI ID:1071926

Related Subjects

Chemistry
Materials Science

Chemical Insights into the Formation of Metastable Zinc Cobalt Sulfide Solid-Solution Nanoparticles through Simultaneous Multi-Cation Exchange

Citation Formats

References (65)

Similar Records

Related Subjects