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Volumn 92, Issue 9, 2013, Pages 14-22

Accelerating functional materials discovery

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84888235370     PISSN: 00027812     EISSN: None     Source Type: Trade Journal    
DOI: None     Document Type: Article
Times cited : (9)

References (75)
  • 3
    • 84888234585 scopus 로고    scopus 로고
    • Materials Genome Initiative for Global Competitiveness, June 2011
    • White House Office of Science and Technology Policy, Materials Genome Initiative for Global Competitiveness, June 2011 (http://www.whitehouse.gov/ sites/default/files/microsites/ostp/materials-genome-initiative-final.pdf).
    • White House Office of Science and Technology Policy
  • 4
    • 84863950729 scopus 로고    scopus 로고
    • Advances in the development and growth of functional materials: Toward the paradigm of materials bydesign
    • It Followed As An Outgrowth Of A Priori "future directionsi meeting within the inorganic materials community summarized
    • It followed as an outgrowth of a prior "future directions" meeting within the inorganic materials community summarized in R. Seshadri, S.L. Brock, A. Ramirez, M.A. Subramanian, and M.E. Thompson, "Advances in the development and growth of functional materials: Toward the paradigm of materials bydesign," MRS Bull., 37, 682-90 (2012).
    • (2012) MRS Bull , vol.37 , pp. 682-690
    • Seshadri, R.1    Brock, S.L.2    Ramirez, A.3    Subramanian, M.A.4    Thompson, M.E.5
  • 5
    • 0029731412 scopus 로고    scopus 로고
    • Clinoatacmite, a new polymorph of Cu2(OH)3Cl, and its relationship to paratacamite and 'anarakite
    • .L. Jambor, J.E. Dutrizac, A.C. Roberts, J.D. Grice, and J.T. Szymanski, "Clinoatacmite, a new polymorph of Cu2(OH)3Cl, and its relationship to paratacamite and 'anarakite,'" Can. Mineral., 34, 61-72 (1996).
    • (1996) Can. Mineral , vol.34 , pp. 61-72
    • Jambor, L.1    Dutrizac, J.E.2    Roberts, A.C.3    Grice, J.D.4    Szymanski, J.T.5
  • 8
    • 84871405508 scopus 로고    scopus 로고
    • Fractionalized excitationsin the spin-liquid state of a Kagomlattice antiferromagnet
    • .H. Han, J.S. Helton, S. Chu, D.G. Nocera, J.A. Rodriguez- Rivera, C. Broholm, and Y.S. Lee, "Fractionalized excitationsin the spin-liquid state of a Kagomlattice antiferromagnet," Nature, 492, 406-11 (2013).
    • (2013) Nature , vol.492 , pp. 406-411
    • Han, H.1    Helton, J.S.2    Chu, S.3    Nocera, D.G.4    Rodriguez-Rivera, J.A.5    Broholm, C.6    Lee, Y.S.7
  • 9
    • 76249131385 scopus 로고    scopus 로고
    • Challenges for rechargeable Li batteries
    • .B. Goodenough and Y. Kim. "Challenges for rechargeable Li batteries," Chem. Mater., 22, 587-603 (2010).
    • (2010) Chem. Mater , vol.22 , pp. 587-603
    • Goodenough, B.1    Kim, Y.2
  • 10
    • 38849174818 scopus 로고    scopus 로고
    • Complex thermoelectric materials
    • .J. Synder and E.S. Toberer, "Complex thermoelectric materials," Nat. Mater., 7, 105-114 (2008).
    • (2008) Nat. Mater , vol.7 , pp. 105-114
    • Synder, J.1    Toberer, E.S.2
  • 11
    • 51149207438 scopus 로고
    • Curie point of barium titanate
    • .G. Harwood, P. Popper, and D.F. Rushman, "Curie point of barium titanate," Nature, 160, 58-59 (1947).
    • (1947) Nature , vol.160 , pp. 58-59
    • Harwood, G.1    Popper, P.2    Rushman, D.F.3
  • 13
    • 30244454714 scopus 로고
    • Possible high-tc superconductivity in the ba-la-cu-o system
    • J.G.Bednorz and K.A. Mler, "Possible high-Tc superconductivity in the Ba-La-Cu-O system," Z. Phys. B, 64, 189-93 (1986).
    • (1986) Z. Phys. B , vol.64 , pp. 189-193
    • Bednorz, J.G.1    Mler, K.A.2
  • 16
    • 84888260816 scopus 로고    scopus 로고
    • http://www.earthchem.org/petdb
  • 18
    • 85029166279 scopus 로고    scopus 로고
    • Fuelling discovery by sharing" (editorial)
    • "Fuelling discovery by sharing" (editorial), Nat. Mater., 12, 173 (2013).
    • (2013) Nat. Mater , vol.12 , pp. 173
  • 20
    • 84875458397 scopus 로고    scopus 로고
    • The high-throughput highway to computational materials design
    • Curtarolo, G.L W. Hart, M.B. Nardelli, N. Mingo, S. Sanvito, and O. Levy, "The high-throughput highway to computational materials design," Nat. Mater., 12, 191-201 (2013).
    • (2013) Nat. Mater , vol.12 , pp. 191-201
    • Hart W. L, C.G.1    Nardelli, M.B.2    Mingo, N.3    Sanvito, S.4    Levy, O.5
  • 21
    • 84888263299 scopus 로고    scopus 로고
    • http://www.springermaterials.com
  • 22
    • 84888227768 scopus 로고    scopus 로고
    • http://www.asminternational.org/AsmEnterprise/APD/
  • 23
    • 84888235755 scopus 로고    scopus 로고
    • http://www.nist.gov/mml/mml-data.cfm
  • 24
    • 84888222207 scopus 로고    scopus 로고
    • https://cosmicweb.mse.iastate.edu/wiki/display/home/Materials+Atlas+Home
  • 26
    • 84888216877 scopus 로고    scopus 로고
    • http://rruff.geo.arizona.edu/AMS/amcsd.php
  • 27
    • 84888230636 scopus 로고    scopus 로고
    • http://melts.ofm-research.org/
  • 34
    • 84883126425 scopus 로고    scopus 로고
    • Identification and design principles of low hole effective mass p-type transparent conducting oxides
    • Hautier, A. Miglio, G. Ceder, G.-M. Rignanese, and X. Gonze, "Identification and design principles of low hole effective mass p-type transparent conducting oxides," Nat. Commun., 4, 2299 (2013).
    • (2013) Nat. Commun , vol.4 , pp. 2299
    • Miglio, H.A.1    Ceder, G.2    Rignanese, G.-M.3    Gonze, X.4
  • 35
    • 80051765814 scopus 로고    scopus 로고
    • Indentifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning
    • .V. Balachandran, S.R. Broderick, and K. Rajan, "Indentifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning," Proc. R. Soc. A, 467, 2271-90 (2011).
    • (2011) Proc. R. Soc. A , vol.467 , pp. 2271-2290
    • Balachandran, V.1    Broderick, S.R.2    Rajan, K.3
  • 36
    • 0010757960 scopus 로고    scopus 로고
    • Symmetry-general ab-initio computation of physical properties using quantumsoftware with crystal structure databases: Results and perspectives
    • Le Page, P.W. Saxe, and J.R. Rodgers, "Symmetry-general ab-initio computation of physical properties using quantumsoftware with crystal structure databases: Results and perspectives," Acta Crystallogr. B, 58, 349-57 (2002).
    • (2002) Acta Crystallogr. B , vol.58 , pp. 349-357
    • Le Page, P.W.1    Rodgers, J.R.2
  • 37
    • 84882278150 scopus 로고    scopus 로고
    • Data-driven review ofthermoelectric materials: Performance and resource considerations
    • .W. Gaultois, T.D. Sparks, C.K. H. Borg, R. Seshadri, W.D. Bonifico, and D.R. Clarke, "Data-driven review ofthermoelectric materials: Performance and resource considerations," Chem. Mater., 25, 2911-20 (2013).
    • (2013) Chem. Mater , vol.25 , pp. 2911-2920
    • Gaultois, W.1    Sparks, T.D.2    Borg, C.K.H.3    Seshadri, R.4    Bonifico, W.D.5    Clarke, D.R.6
  • 38
    • 79956067241 scopus 로고    scopus 로고
    • Recharging lithium battery research with first-principles methods
    • Ceder, G. Hauthier, A. Jain, and S.P. Ong, "Recharging lithium battery research with first-principles methods," Mater. Res. Soc. Bull., 36, 185-91 (2011).
    • (2011) Mater. Res. Soc. Bull , vol.36 , pp. 185-191
    • Hauthier, C.G.1    Jain, A.2    Ong, S.P.3
  • 39
    • 84855325595 scopus 로고    scopus 로고
    • Assessing the thermoelectric properties of sintered compounds via high-throughput ab-initio calculations
    • Wang, Z. Wang, W. Setyawan, N. Mingo, and S. Curtarolo, "Assessing the thermoelectric properties of sintered compounds via high-throughput ab-initio calculations," Phys. Rev. X, 1, 021012 (2011).
    • (2011) Phys. Rev X , vol.1 , pp. 021012
    • Wang, W.Z.1    Setyawan, W.2    Mingo, N.3    Curtarolo, S.4
  • 40
    • 84866946907 scopus 로고    scopus 로고
    • Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations
    • .W. Bennett and K.M. Rabe, "Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations," J. Solid. State. Chem., 195, 21-31 (2012).
    • (2012) J. Solid. State. Chem , vol.195 , pp. 21-31
    • Bennett, W.1    Rabe, K.M.2
  • 41
    • 79961215293 scopus 로고    scopus 로고
    • Screening for high-performance piezoelectrics using highthroughputdensity functional theory
    • Armiento, B. Kozinsky, M. Fornari, and G. Ceder, "Screening for high-performance piezoelectrics using highthroughputdensity functional theory," Phys. Rev. B, 84, 014103 (2011).
    • (2011) Phys. Rev. B , vol.84 , pp. 014103
    • Kozinsky, A.B.1    Fornari, M.2    Ceder, G.3
  • 42
    • 84856865412 scopus 로고    scopus 로고
    • Identification of potential photovoltaic absorbers based on first-principles screening of materials
    • Yu and A. Zunger, "Identification of potential photovoltaic absorbers based on first-principles screening of materials," Phys. Rev. Lett., 108, 068701 (2012).
    • (2012) Phys. Rev. Lett , vol.108 , pp. 068701
    • Zunger Yu, A.1
  • 43
    • 84883692249 scopus 로고    scopus 로고
    • Proxies from abinitio calculations for screening efficient Ce3+ phosphor hosts
    • Brgoch, S.P. DenBaars, and R. Seshadri, "Proxies from abinitio calculations for screening efficient Ce3+ phosphor hosts," J. Phys. Chem. C, 117, 17955-59 (2013).
    • (2013) J. Phys. Chem C , vol.117 , pp. 17955-17959
    • Denbaars, P.B.S.1    Seshadri, R.2
  • 47
    • 84888254946 scopus 로고    scopus 로고
    • https://commonfund.nih.gov/bd2k/index.aspx
  • 48
    • 33747086876 scopus 로고    scopus 로고
    • Vol. G: Definition and exchange of crystallographic data Edited by S.R. Halland B. McMahon. International Union of Crystallography, Chester, U.K
    • International tables for crystallography, Vol. G: Definition and exchange of crystallographic data. Edited by S.R. Halland B. McMahon. International Union of Crystallography, Chester, U.K., 2006.
    • (2006) International Tables for Crystallography
  • 52
    • 33846221553 scopus 로고    scopus 로고
    • Combinatorial experimentation and materials informatics
    • Takeuchi, M. Lippmaa, and Y. Matsumoto, "Combinatorial Experimentation and Materials Informatics," Mater. Res. Soc. Bull., 31, 999-1003 (2006).
    • (2006) Mater. Res. Soc. Bull , vol.31 , pp. 999-1003
    • Lippmaa, T.M.1    Matsumoto, Y.2
  • 54
    • 24944435796 scopus 로고    scopus 로고
    • Combinatorial materials synthesis
    • Takeuchi, J. Lauterbach, and M.J. Fasolka, "Combinatorial materials synthesis," Mater. Today, 8, 18-26 (2005).
    • (2005) Mater. Today , vol.8 , pp. 18-26
    • Lauterbach, T.J.1    Fasolka, M.J.2
  • 55
    • 0033298169 scopus 로고    scopus 로고
    • Combinatorial materials synthesis and screening: An integrated materials chip approach to discovery and optimization of functional materials
    • D. Xiang, "Combinatorial materials synthesis and screening: An integrated materials chip approach to discovery and optimization of functional materials," Annu. Rev. Mater. Sci., 29, 149-71 (1999).
    • (1999) Annu. Rev. Mater. Sci , vol.29 , pp. 149-171
    • Xiang, D.1
  • 56
    • 0028953765 scopus 로고
    • Measuring diversity: Experimental design of combinatorial libraries for drug discovery
    • .J. Martin, J.M. Blaney, M.A. Siani, D.C. Spellmeyer, A.K. Wong, and W.H. Moos, "Measuring diversity: Experimental design of combinatorial libraries for drug discovery," J. Med. Chem., 38, 1431-36 (1995).
    • (1995) J. Med. Chem , vol.38 , pp. 1431-1436
    • Martin, J.1    Blaney, J.M.2    Siani, M.A.3    Spellmeyer, D.C.4    Wong, A.K.5    Moos, W.H.6
  • 58
    • 0033921872 scopus 로고    scopus 로고
    • A merger of rational drug design and combinatorial chemistry development and application of peptide secondary structure mimetics
    • .-O. Kim and M. Kahn, "A merger of rational drug design and combinatorial chemistry development and application of peptide secondary structure mimetics," Comb. Chem. High Throughput Scr., 3, 167-83 (2000).
    • (2000) Comb. Chem. High Throughput Scr , vol.3 , pp. 167-183
    • Kim, O.1    Kahn, M.2
  • 59
    • 3042806765 scopus 로고    scopus 로고
    • Takeuchi Combinatorial solid-state chemistry of inorganic materials
    • Koinuma and I. Takeuchi, "Combinatorial solid-state chemistry of inorganic materials," Nat. Mater., 3, 429-38 (2004).
    • (2004) Nat. Mater , vol.3 , pp. 429-438
    • Koinuma, I.1
  • 61
    • 33846340490 scopus 로고    scopus 로고
    • Magnetic and electric phase control in epitaxial EuTiO3 from first-principles
    • C.J. Fennie and K.M. Rabe, "Magnetic and electric phase control in epitaxial EuTiO3 from first-principles," Phys. Rev. Lett., 97, 267602 (2006).
    • (2006) Phys. Rev. Lett , vol.97 , pp. 267602
    • Fennie, C.J.1    Rabe, K.M.2
  • 63
    • 84888220783 scopus 로고    scopus 로고
    • http://www.flir.com/thermography/americas/ca/view/?id= 59484&collectionid=788&col= 59486
  • 64
    • 11744388456 scopus 로고    scopus 로고
    • Effect of mechanical boundary conditions on phase diagrams of epitaxial ferroelectric thin films
    • .A. Pertsev, A.G. Zembilgotov, and A.K. Tagantsev, "Effect of mechanical boundary conditions on phase diagrams of epitaxial ferroelectric thin films," Phys. Rev. Lett., 80, 1988-91 (1998).
    • (1998) Phys. Rev. Lett , vol.80 , pp. 1988-1991
    • Pertsev, A.1    Zembilgotov, A.G.2    Tagantsev, A.K.3
  • 67
    • 67649246400 scopus 로고    scopus 로고
    • Physics and applications of bismuth ferrite
    • G. Catalan and J.F. Scott, "Physics and applications of bismuth ferrite," Adv. Mater., 21, 246385 (2009).
    • (2009) Adv. Mater , vol.21 , pp. 246385
    • Catalan, G.1    Scott, J.F.2
  • 69
    • 77951531987 scopus 로고    scopus 로고
    • A genetic algorithm for predicting the structures of interfaces in multicomponent systems
    • .L-S. Chua, N. A. Benedek, L. Chen, M.W. Finnis, and A.P. Sutton, "A genetic algorithm for predicting the structures of interfaces in multicomponent systems," Nat. Mater., 9, 418-22 (2010).
    • (2010) Nat. Mater , vol.9 , pp. 418-422
    • Chua, L.-S.1    Benedek, N.A.2    Chen, L.3    Finnis, M.W.4    Sutton, A.P.5
  • 70
    • 84867571743 scopus 로고    scopus 로고
    • Combinatorial substrate epitaxy: A highthroughput method for determining phase and orientation relationships and its application to BiFeO3/TiO2 heterostructures
    • Zhang, A. M. Schultz, L. Li, H. Chien, P.A. Salvador, and G.S. Rohrer, "Combinatorial substrate epitaxy: A highthroughput method for determining phase and orientation relationships and its application to BiFeO3/TiO2 heterostructures,"Acta Mater., 60, 6486-93 (2012).
    • (2012) Acta Mater , vol.60 , pp. 6486-6493
    • Schultz, M.Z.A.1    Li, L.2    Chien, H.3    Salvador, P.A.4    Rohrer, G.S.5
  • 71
    • 79958145662 scopus 로고    scopus 로고
    • Computational scheme for abinitio predictions of chemical compositions interfaces realizedby deposition growth
    • Rohrer and P. Hyldgaard, "Computational scheme for abinitio predictions of chemical compositions interfaces realizedby deposition growth," Comp. Phys. Commun., 182, 1814-18 (2011).
    • (2011) Comp. Phys. Commun , vol.182 , pp. 1814-1818
    • Hyldgaard, P.1
  • 73
    • 67650260772 scopus 로고    scopus 로고
    • Topological insulators in Bi2Se3, Bi2Te3, and Sb2Te3 with a single Dirac cone on the surface
    • .J. Zhang, C.-X. Liu, X.-L. Qi, X. Dai, Z. Fang, and S.C. Zhang, "Topological insulators in Bi2Se3, Bi2Te3, and Sb2Te3 with a single Dirac cone on the surface," Nat. Phys., 5, 438-42 (2009).
    • (2009) Nat. Phys , vol.5 , pp. 438-442
    • Zhang, J.1    Liu, C.-X.2    Qi, X.-L.3    Dai, X.4    Fang, Z.5    Zhang, S.C.6


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