In situ studies of a platform for metastable inorganic crystal growth and materials discovery

Daniel P. Shoemaker, Yung Jin Hu, Duck Young Chung, Gregory J. Halder, Peter J. Chupas, L. Soderholm, J. F. Mitchell, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design.

Original languageEnglish
Pages (from-to)10922-10927
Number of pages6
JournalProceedings of the National Academy of Sciences of the United States of America
Volume111
Issue number30
DOIs
Publication statusPublished - 2014

Fingerprint

Crystallization
Fluxes
Inorganic compounds
Sulfides
Materials science
Sulfur
Salts
Crystalline materials
X ray diffraction
Liquids
Chemical analysis

ASJC Scopus subject areas

  • General

Cite this

In situ studies of a platform for metastable inorganic crystal growth and materials discovery. / Shoemaker, Daniel P.; Hu, Yung Jin; Chung, Duck Young; Halder, Gregory J.; Chupas, Peter J.; Soderholm, L.; Mitchell, J. F.; Kanatzidis, Mercouri G.

In: Proceedings of the National Academy of Sciences of the United States of America, Vol. 111, No. 30, 2014, p. 10922-10927.

Research output: Contribution to journalArticle

Shoemaker, Daniel P. ; Hu, Yung Jin ; Chung, Duck Young ; Halder, Gregory J. ; Chupas, Peter J. ; Soderholm, L. ; Mitchell, J. F. ; Kanatzidis, Mercouri G. / In situ studies of a platform for metastable inorganic crystal growth and materials discovery. In: Proceedings of the National Academy of Sciences of the United States of America. 2014 ; Vol. 111, No. 30. pp. 10922-10927.
@article{d5928c2eb07542fcb7c4c66bcd1be7f7,
title = "In situ studies of a platform for metastable inorganic crystal growth and materials discovery",
abstract = "Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design.",
author = "Shoemaker, {Daniel P.} and Hu, {Yung Jin} and Chung, {Duck Young} and Halder, {Gregory J.} and Chupas, {Peter J.} and L. Soderholm and Mitchell, {J. F.} and Kanatzidis, {Mercouri G}",
year = "2014",
doi = "10.1073/pnas.1406211111",
language = "English",
volume = "111",
pages = "10922--10927",
journal = "Proceedings of the National Academy of Sciences of the United States of America",
issn = "0027-8424",
number = "30",

}

TY - JOUR

T1 - In situ studies of a platform for metastable inorganic crystal growth and materials discovery

AU - Shoemaker, Daniel P.

AU - Hu, Yung Jin

AU - Chung, Duck Young

AU - Halder, Gregory J.

AU - Chupas, Peter J.

AU - Soderholm, L.

AU - Mitchell, J. F.

AU - Kanatzidis, Mercouri G

PY - 2014

Y1 - 2014

N2 - Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design.

AB - Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design.

UR - http://www.scopus.com/inward/record.url?scp=84905016686&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84905016686&partnerID=8YFLogxK

U2 - 10.1073/pnas.1406211111

DO - 10.1073/pnas.1406211111

M3 - Article

VL - 111

SP - 10922

EP - 10927

JO - Proceedings of the National Academy of Sciences of the United States of America

JF - Proceedings of the National Academy of Sciences of the United States of America

SN - 0027-8424

IS - 30

ER -