Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals

Quarta, Danila; Toso, Stefano; Saleh, Gabriele; Caliandro, Rocco; Moliterni, Anna; Griesi, Andrea; Divitini, Giorgio; Infante, Ivan; Gigli, Giuseppe; Giannini, Cinzia; Manna, Liberato; Giansante, Carlo

doi:10.1021/acs.chemmater.2c02941

Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals

Journal Article · 20 January 2023 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.2c02941· OSTI ID:2425488

Quarta, Danila ^[1]; ^[2]; ^[3]; ^[4]; Moliterni, Anna ^[4]; Griesi, Andrea ^[3]; ^[3]; ^[5]; Gigli, Giuseppe ^[6]; ^[4]; ^[3]; ^[1]

Consiglio Nazionale delle Ricerche, Istituto di Nanotecnologia − CNR NANOTEC, Via Monteroni, 73100Lecce, Italy
Istituto Italiano di Tecnologia − IIT, Via Morego 30, 16163Genova, Italy; International Doctoral Program in Science, Università Cattolica del Sacro Cuore, 25121Brescia, Italy
Istituto Italiano di Tecnologia − IIT, Via Morego 30, 16163Genova, Italy
Consiglio Nazionale delle Ricerche, Istituto di Cristallografia − CNR IC, Via Amendola 122, 70126Bari, Italy
Istituto Italiano di Tecnologia − IIT, Via Morego 30, 16163Genova, Italy; BCMaterials, Basque Center for Materials, Applications, and Nanostructures, UPV/EHU Science Park, Leioa48940, Spain; Ikerbasque, Basque Foundation for Science, Bilbao48009, Spain
Consiglio Nazionale delle Ricerche, Istituto di Nanotecnologia − CNR NANOTEC, Via Monteroni, 73100Lecce, Italy; Dipartimento di Fisica, Università del Salento, Via per Arnesano, 73100Lecce, Italy

Not provided.

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0012704

OSTI ID:: 2425488

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 3 Vol. 35; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

References (44)

RootProf : software for multivariate analysis of unidimensional profiles Caliandro, Rocco; Belviso, Danilo Benny Journal of Applied Crystallography, Vol. 47, Issue 3 https://doi.org/10.1107/S1600576714005895	journal	May 2014
The HighScore suite Degen, Thomas; Sadki, Mustapha; Bron, Egbert Powder Diffraction, Vol. 29, Issue S2 https://doi.org/10.1017/S0885715614000840	journal	October 2014
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
Polymorphic Metastability in Colloidal Semiconductor Nanocrystals Tappan, Bryce A.; Brutchey, Richard L. ChemNanoMat, Vol. 6, Issue 11 https://doi.org/10.1002/cnma.202000406	journal	September 2020
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
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Metal Chalcohalides: Next Generation Photovoltaic Materials? Palazon, Francisco Solar RRL, Vol. 6, Issue 2 https://doi.org/10.1002/solr.202100829	journal	December 2021
Rietveld refinement guidelines McCusker, L. B.; Von Dreele, R. B.; Cox, D. E. Journal of Applied Crystallography, Vol. 32, Issue 1 https://doi.org/10.1107/S0021889898009856	journal	February 1999
Structural Determination of the Symmetry-Breaking Parameter in trans - ( CH ) x Fincher, C. R.; Chen, C. -E.; Heeger, A. J. Physical Review Letters, Vol. 48, Issue 2 https://doi.org/10.1103/PhysRevLett.48.100	journal	January 1982
Library Design of Ligands at the Surface of Colloidal Nanocrystals Giansante, Carlo Accounts of Chemical Research, Vol. 53, Issue 8 https://doi.org/10.1021/acs.accounts.0c00204	journal	July 2020
Manipulating Band Structure through Reconstruction of Binary Metal Sulfide for High-Performance Thermoelectrics in Solution-Synthesized Nanostructured Bi ₁₃ S ₁₈ I ₂ Xu, Biao; Feng, Tianli; Agne, Matthias T. Angewandte Chemie International Edition, Vol. 57, Issue 9 https://doi.org/10.1002/anie.201713223	journal	February 2018
Solution Processed Bismuth Sulfide Nanowire Array Core/Silver Sulfide Shell Solar Cells Cao, Yiming; Bernechea, María; Maclachlan, Andrew Chemistry of Materials, Vol. 27, Issue 10 https://doi.org/10.1021/acs.chemmater.5b00783	journal	May 2015
The Color and Electronic Configurations of Prussian Blue Robin, Melvin B. Inorganic Chemistry, Vol. 1, Issue 2, p. 337-342 https://doi.org/10.1021/ic50002a028	journal	May 1962
Bi ₁₃ S ₁₈ I ₂ : (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi ₂ ] ⁴⁺ Dimers Grown in Sulfur/Iodine Flux Mixtures Groom, Ryan; Jacobs, Allison; Cepeda, Marisa Chemistry of Materials, Vol. 29, Issue 7 https://doi.org/10.1021/acs.chemmater.7b00702	journal	March 2017
Engineering Electronic Band Structure of Binary Thermoelectric Nanocatalysts for Augmented Pyrocatalytic Tumor Nanotherapy Wang, Yachao; Dai, Xinyue; Dong, Caihong Advanced Materials, Vol. 34, Issue 4 https://doi.org/10.1002/adma.202106773	journal	December 2021
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions Juhás, P.; Davis, T.; Farrow, C. L. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813005190	journal	March 2013
Ordered colloidal clusters constructed by nanocrystals with valence for efficient CO ₂ photoreduction Nai, Jianwei; Wang, Sibo; Lou, Xiong Wen (David) Science Advances, Vol. 5, Issue 12 https://doi.org/10.1126/sciadv.aax5095	journal	December 2019
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data Tkatchenko, Alexandre; Scheffler, Matthias Physical Review Letters, Vol. 102, Issue 7 https://doi.org/10.1103/PhysRevLett.102.073005	journal	February 2009
The crystal structure of Bi(Bi₂S₃)₉Br₃ Mariolacos, K. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 32, Issue 7 https://doi.org/10.1107/S0567740876006833	journal	July 1976
Shape and composition control of Bi₁₉S₂₇(Br_3−x,I_x) alloyed nanowires: the role of metal ions Wu, Yihui; Pan, Huanhuan; Zhou, Xin Chemical Science, Vol. 6, Issue 8 https://doi.org/10.1039/C5SC00708A	journal	January 2015
Spectra and Constitution of Antimony(III) Antimony(V) Hexahalide Salts and Related Compounds Day, Peter Inorganic Chemistry, Vol. 2, Issue 3 https://doi.org/10.1021/ic50007a006	journal	June 1963
Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems Juhás, Pavol; Farrow, Christopher L.; Yang, Xiaohao Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 6, p. 562-568 https://doi.org/10.1107/S2053273315014473	journal	September 2015
Colloidal Bismuth Chalcohalide Nanocrystals Quarta, Danila; Toso, Stefano; Giannuzzi, Roberto Angewandte Chemie, Vol. 134, Issue 22 https://doi.org/10.1002/ange.202201747	journal	March 2022
Conduction in non-crystalline systems V. Conductivity, optical absorption and photoconductivity in amorphous semiconductors Davis, E. A.; Mott, N. F. Philosophical Magazine, Vol. 22, Issue 179 https://doi.org/10.1080/14786437008221061	journal	November 1970
Core-dependent properties of copper nanoclusters: valence-pure nanoclusters as NIR TADF emitters and mixed-valence ones as semiconductors Zhang, Leon Li-Min; Zhou, Guodong; Zhou, Guoqing Chemical Science, Vol. 10, Issue 43 https://doi.org/10.1039/C9SC03455B	journal	January 2019
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
QUALX2.0 : a qualitative phase analysis software using the freely available database POW_COD Altomare, Angela; Corriero, Nicola; Cuocci, Corrado Journal of Applied Crystallography, Vol. 48, Issue 2 https://doi.org/10.1107/S1600576715002319	journal	February 2015
Interfacial Engineering of Bi₁₉Br₃S₂₇ Nanowires Promotes Metallic Photocatalytic CO₂ Reduction Activity under Near-Infrared Light Irradiation Li, Jun; Pan, Wenfeng; Liu, Qiaoyun Journal of the American Chemical Society, Vol. 143, Issue 17 https://doi.org/10.1021/jacs.1c01109	journal	April 2021
Mixed valence: origins and developments Day, Peter; Hush, Noel S.; Clark, Robin J. H. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 366, Issue 1862 https://doi.org/10.1098/rsta.2007.2135	journal	September 2007
Mixed valency and magnetism in cyanometallates and Prussian blue analogues Herrera, J. M.; Bachschmidt, A.; Villain, F. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 366, Issue 1862 https://doi.org/10.1098/rsta.2007.2145	journal	September 2007
Microscopic evidence for4flocalization with reduced particle size in correlated electron system CePd3 Mohanta, S. K.; Mishra, S. N.; Iyer, Kartik K. Physical Review B, Vol. 87, Issue 12 https://doi.org/10.1103/PhysRevB.87.125125	journal	March 2013
Bi ₁₃ S ₁₈ X ₂ -Based Solar Cells ( X = Cl, Br, I): Photoelectric Behavior and Photovoltaic Performance Li, Sen; Xu, Linfeng; Kong, Xinggang Physical Review Applied, Vol. 15, Issue 3 https://doi.org/10.1103/PhysRevApplied.15.034040	journal	March 2021
Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures Toso, Stefano; Akkerman, Quinten A.; Martín-García, Beatriz Journal of the American Chemical Society, Vol. 142, Issue 22 https://doi.org/10.1021/jacs.0c03577	journal	May 2020
The crucial role of mixed valence in the magnetoresistance properties of manganites and cobaltites Raveau, B. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 366, Issue 1862 https://doi.org/10.1098/rsta.2007.2141	journal	September 2007
Superconductivity near 30 K without copper: the Ba0.6K0.4BiO3 perovskite Cava, R. J.; Batlogg, B.; Krajewski, J. J. Nature, Vol. 332, Issue 6167 https://doi.org/10.1038/332814a0	journal	April 1988
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
Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration Gražulis, Saulius; Daškevič, Adriana; Merkys, Andrius Nucleic Acids Research, Vol. 40, Issue D1 https://doi.org/10.1093/nar/gkr900	journal	November 2011
Defective Bi.333(Bi6S9)Br/Bi2S3 heterostructure nanorods: Boosting the activity for efficient visible-light photocatalytic Cr(VI) reduction Ai, Lili; Wang, Luxiang; Xu, Mengjiao Applied Catalysis B: Environmental, Vol. 284 https://doi.org/10.1016/j.apcatb.2020.119730	journal	May 2021
Optical Properties and Electronic Structure of Amorphous Germanium Tauc, J.; Grigorovici, R.; Vancu, A. physica status solidi (b), Vol. 15, Issue 2 https://doi.org/10.1002/pssb.19660150224	journal	January 1966
The Powder Diffraction File: present and future Faber, John; Fawcett, Tim Acta Crystallographica Section B Structural Science, Vol. 58, Issue 3 https://doi.org/10.1107/S0108768102003312	journal	May 2002
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
Recent advances in magnetic structure determination by neutron powder diffraction Rodríguez-Carvajal, Juan Physica B: Condensed Matter, Vol. 192, Issue 1-2 https://doi.org/10.1016/0921-4526(93)90108-I	journal	October 1993
A profile refinement method for nuclear and magnetic structures Rietveld, H. M. Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71 https://doi.org/10.1107/S0021889869006558	journal	June 1969
New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities Kabekkodu, Soorya N.; Faber, John; Fawcett, Tim Acta Crystallographica Section B Structural Science, Vol. 58, Issue 3 https://doi.org/10.1107/S0108768102002458	journal	May 2002

Similar Records

Direct Band Gap Chalcohalide Semiconductors: Quaternary AgBiSCl ₂ Nanocrystals

Journal Article · 2023 · Chemistry of Materials · OSTI ID:2581419

Bismuth chalcohalides and oxyhalides as optoelectronic materials

Journal Article · 2016 · Physical Review B · OSTI ID:1263853

Related Subjects

Chemistry
Materials Science

Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals

Citation Formats

References (44)

Similar Records

Related Subjects