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Volumn 5, Issue 12, 2011, Pages 9370-9381

Kinetically controlled autocatalytic chemical process for bulk production of bimetallic core-shell structured nanoparticles

Author keywords

autocatalytic; core shell; kinetically controlled; Pd@Pt; Pt ultrathin layer

Indexed keywords

AUTOCATALYTIC; BIMETALLIC CORES; BULK PRODUCTION; CATALYTIC REACTIONS; CHEMICAL PROCESS; COMMERCIAL POTENTIAL; CONTROLLED CONDITIONS; CORE-SHELL; DEPOSITION PROCESS; ELECTROCATALYTIC ACTIVITY; ELECTROCHEMICAL TECHNIQUES; ELECTROCHEMICAL TREATMENTS; FUEL CELL OPERATION; HIGH QUALITY; IN-SITU; KINETICALLY CONTROLLED; OXYGEN REDUCTION REACTION; SCALING-UP; ULTRA-THIN; ULTRATHIN LAYERS;

EID: 84555220517     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn202545a     Document Type: Article
Times cited : (66)

References (60)
  • 4
    • 70450242922 scopus 로고    scopus 로고
    • Magnetic Nanoparticles: When Atoms Move Around
    • Sato, K. Magnetic Nanoparticles: When Atoms Move Around Nat. Mater. 2009, 8, 924-925
    • (2009) Nat. Mater. , vol.8 , pp. 924-925
    • Sato, K.1
  • 5
    • 72449157005 scopus 로고    scopus 로고
    • Exceptional High-temperature Stability through Distillation-like Self-Stabilization in Bimetallic Nanoparticles
    • Cao, A.; Veser, G. Exceptional High-temperature Stability through Distillation-like Self-Stabilization in Bimetallic Nanoparticles Nat. Mater. 2010, 9, 75-81
    • (2010) Nat. Mater. , vol.9 , pp. 75-81
    • Cao, A.1    Veser, G.2
  • 7
    • 25844502501 scopus 로고    scopus 로고
    • Magnetic nanoparticles: Applications beyond data storage
    • DOI 10.1038/nmat1494
    • Reiss, G.; Hutten, A. Magnetic nanoparticles: Applications beyond Data Storage Nat. Mater. 2005, 4, 725-726 (Pubitemid 41397016)
    • (2005) Nature Materials , vol.4 , Issue.10 , pp. 725-726
    • Reiss, G.1    Hutten, A.2
  • 8
    • 0034812336 scopus 로고    scopus 로고
    • Synthesis of "solid solution" and "core-shell" type cobalt-platinum magnetic nanoparticles via transmetalation reactions
    • DOI 10.1021/ja0156340
    • Park, J.-I.; Cheon, J. Synthesis of "Solid Solution" and "Core-Shell" Type Cobalt-Platinum Magnetic Nanoparticles via Transmetalation Reactions J. Am. Chem. Soc. 2001, 123, 5743-5746 (Pubitemid 32904708)
    • (2001) Journal of the American Chemical Society , vol.123 , Issue.24 , pp. 5743-5746
    • Park, J.-I.1    Cheon, J.2
  • 9
    • 28044442727 scopus 로고    scopus 로고
    • Redox-transmetalation process as a generalized synthetic strategy for core-shell magnetic nanoparticles
    • DOI 10.1021/ja053659j
    • Lee, W. R.; Kim, M. G.; Choi, J. R.; Park, J. I.; Ko, S. J.; Oh, S. J.; Cheon, J. Redox-Transmetalation Process as a Generalized Synthetic Strategy for Core-Shell Magnetic Nanoparticles J. Am. Chem. Soc. 2005, 127, 16090-16097 (Pubitemid 41689234)
    • (2005) Journal of the American Chemical Society , vol.127 , Issue.46 , pp. 16090-16097
    • Lee, W.-R.1    Kim, M.G.2    Choi, J.-R.3    Park, J.-I.4    Ko, S.J.5    Oh, S.J.6    Cheon, J.7
  • 10
    • 78449296727 scopus 로고    scopus 로고
    • Direct Detection of Hole Gas in Ge-Si Core-Shell Nanowires by Enhanced Raman Scattering
    • Zhang, S.; Lopez, F. J.; Hyun, J. K.; Lauhon, L. J. Direct Detection of Hole Gas in Ge-Si Core-Shell Nanowires by Enhanced Raman Scattering Nano Lett. 2010, 10, 4483-4487
    • (2010) Nano Lett. , vol.10 , pp. 4483-4487
    • Zhang, S.1    Lopez, F.J.2    Hyun, J.K.3    Lauhon, L.J.4
  • 11
    • 33846633795 scopus 로고    scopus 로고
    • Stabilization of platinum oxygen-reduction electrocatalysts using gold clusters
    • DOI 10.1126/science.1134569
    • Zhang, J.; Sasaki, K.; Sutter, E.; Adzic, R. R. Stabilization of Platinum Oxygen-Reduction Electrocatalysts Using Gold Clusters Science 2007, 315, 220-222 (Pubitemid 46170318)
    • (2007) Science , vol.315 , Issue.5809 , pp. 220-222
    • Zhang, J.1    Sasaki, K.2    Sutter, E.3    Adzic, R.R.4
  • 12
    • 33646724608 scopus 로고    scopus 로고
    • Controlling the Catalytic Activity of Platinum-Monolayer Electrocatalysts for Oxygen Reduction with Different Substrates
    • Zhang, J.; Vukmirovic, M. B.; Xu, Y.; Mavrikakis, M.; Adzic, R. R. Controlling the Catalytic Activity of Platinum-Monolayer Electrocatalysts for Oxygen Reduction with Different Substrates Angew. Chem., Int. Ed. 2005, 117, 2170-2173
    • (2005) Angew. Chem., Int. Ed. , vol.117 , pp. 2170-2173
    • Zhang, J.1    Vukmirovic, M.B.2    Xu, Y.3    Mavrikakis, M.4    Adzic, R.R.5
  • 14
    • 77956048892 scopus 로고    scopus 로고
    • Behind Platinums Sparkle
    • Yam, V. W. W. Behind Platinums Sparkle Nat. Chem. 2010, 2, 790
    • (2010) Nat. Chem. , vol.2 , pp. 790
    • Yam, V.W.W.1
  • 16
    • 58149316607 scopus 로고    scopus 로고
    • Facile Synthesis of Highly Faceted Multioctahedral Pt Nanocrystals through Controlled Overgrowth
    • Lim, B.; Lu, X.; Jiang, M.; Camargo, P. H. C.; Cho, E. C.; Lee, E. P.; Xia, Y. Facile Synthesis of Highly Faceted Multioctahedral Pt Nanocrystals through Controlled Overgrowth Nano Lett. 2008, 8, 4043-4047
    • (2008) Nano Lett. , vol.8 , pp. 4043-4047
    • Lim, B.1    Lu, X.2    Jiang, M.3    Camargo, P.H.C.4    Cho, E.C.5    Lee, E.P.6    Xia, Y.7
  • 17
    • 70350290487 scopus 로고    scopus 로고
    • Homogeneous Deposition of Platinum Nanoparticles on Carbon Black for Proton Exchange Membrane Fuel Cell
    • Fang, B.; Chaudhari, N. K.; Kim, M.-S.; Kim, J. H.; Yu, J.-S. Homogeneous Deposition of Platinum Nanoparticles on Carbon Black for Proton Exchange Membrane Fuel Cell J. Am. Chem. Soc. 2009, 131, 15330-15338
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 15330-15338
    • Fang, B.1    Chaudhari, N.K.2    Kim, M.-S.3    Kim, J.H.4    Yu, J.-S.5
  • 18
    • 67650564174 scopus 로고    scopus 로고
    • Synthesis and Oxygen Reduction Electrocatalytic Property of Pt-on-Pd Bimetallic Heteronanostructures
    • Peng, Z.; Yang, H. Synthesis and Oxygen Reduction Electrocatalytic Property of Pt-on-Pd Bimetallic Heteronanostructures J. Am. Chem. Soc. 2009, 131, 7542-7543
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 7542-7543
    • Peng, Z.1    Yang, H.2
  • 19
    • 66749089951 scopus 로고    scopus 로고
    • Pd-Pt Bimetallic Nanodendrites with High Activity for Oxygen Reduction
    • Lim, B.; Jiang, M.; Camargo, P. H. C.; Cho, E. C.; Tao, J.; Lu, X.; Zhu, Y.; Xia, Y. Pd-Pt Bimetallic Nanodendrites with High Activity for Oxygen Reduction Science 2009, 324, 1302-1305
    • (2009) Science , vol.324 , pp. 1302-1305
    • Lim, B.1    Jiang, M.2    Camargo, P.H.C.3    Cho, E.C.4    Tao, J.5    Lu, X.6    Zhu, Y.7    Xia, Y.8
  • 20
    • 34548453514 scopus 로고    scopus 로고
    • Shaping binary metal nanocrystals through epitaxial seeded growth
    • DOI 10.1038/nmat1957, PII NMAT1957
    • Habas, S. E.; Lee, H.; Radmilovic, V.; Somorjai, G. A.; Yang, P. Shaping Binary Metal Nanocrystals through Epitaxial Seeded Growth Nat. Mater. 2007, 6, 692-697 (Pubitemid 47359555)
    • (2007) Nature Materials , vol.6 , Issue.9 , pp. 692-697
    • Habas, S.E.1    Lee, H.2    Radmilovic, V.3    Somorjai, G.A.4    Yang, P.5
  • 21
    • 42949149226 scopus 로고    scopus 로고
    • Localized Pd overgrowth on cubic Pt nanocrystals for enhanced electrocatalytic oxidation of formic acid
    • DOI 10.1021/ja800656y
    • Lee, H.; Habas, S. E.; Somorjai, G. A.; Yang, P. Localized Pd Overgrowth on Cubic Pt Nanocrystals for Enhanced Electrocatalytic Oxidation of Formic Acid J. Am. Chem. Soc. 2008, 130, 5406-5407 (Pubitemid 351612932)
    • (2008) Journal of the American Chemical Society , vol.130 , Issue.16 , pp. 5406-5407
    • Lee, H.1    Habas, S.E.2    Somorjai, G.A.3    Yang, P.4
  • 22
    • 0031551175 scopus 로고    scopus 로고
    • Preparation of Pd-Pt bimetallic colloids with controllable core/shell structures
    • Wang, Y.; Toshima, N. Preparation of Pd-Pt Bimetallic Colloids with Controllable Core/Shell Structures J. Phys. Chem. B 1997, 101, 5301-5306 (Pubitemid 127581153)
    • (1997) Journal of Physical Chemistry B , vol.101 , Issue.27 , pp. 5301-5306
    • Wang, Y.1    Toshima, N.2
  • 23
    • 0034258437 scopus 로고    scopus 로고
    • Novel synthesis, structure and catalysis of inverted core/shell structured Pd/Pt bimetallic nanoclusters
    • DOI 10.1007/s100530170094
    • Toshima, N.; Shiraishi, Y.; Shiotsuki, A.; Ikenaga, D.; Wang, Y. Novel Synthesis, Structure and Catalysis of Inverted Core/Shell Structured Pd/Pt Bimetallic Nanoclusters Eur. Phys. J. D 2001, 16, 209-212 (Pubitemid 33353159)
    • (2001) European Physical Journal D , vol.16 , Issue.1-3 , pp. 209-212
    • Toshima, N.1    Shiraishi, Y.2    Shiotsuki, A.3    Ikenaga, D.4    Wang, Y.5
  • 24
    • 72249103818 scopus 로고    scopus 로고
    • Oxygen Reduction on Well-Defined Core-Shell Nanocatalysts: Particle Size, Facet, and Pt Shell Thickness Effects
    • Wang, J. X.; Inada, H.; Wu, L.; Zhu, Y.; Choi, Y.; Liu, P.; Zhou, W.-P.; Adzic, R. R. Oxygen Reduction on Well-Defined Core-Shell Nanocatalysts: Particle Size, Facet, and Pt Shell Thickness Effects J. Am. Chem. Soc. 2009, 131, 17298
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 17298
    • Wang, J.X.1    Inada, H.2    Wu, L.3    Zhu, Y.4    Choi, Y.5    Liu, P.6    Zhou, W.-P.7    Adzic, R.R.8
  • 26
    • 76449114599 scopus 로고    scopus 로고
    • Recent Advances in Platinum Monolayer Electrocatalysts for Oxygen Reduction Reaction: Scale-up Synthesis, Structure and Activity of Pt Shells on Pd Cores
    • Sasaki, K.; Wang, J. X.; Naohara, H.; Marinkovic, N.; More, K.; Inada, H.; Adzic, R. R. Recent Advances in Platinum Monolayer Electrocatalysts for Oxygen Reduction Reaction: Scale-up Synthesis, Structure and Activity of Pt Shells on Pd Cores Electrochim. Acta 2010, 55, 2645-2652
    • (2010) Electrochim. Acta , vol.55 , pp. 2645-2652
    • Sasaki, K.1    Wang, J.X.2    Naohara, H.3    Marinkovic, N.4    More, K.5    Inada, H.6    Adzic, R.R.7
  • 27
    • 70350129755 scopus 로고    scopus 로고
    • Hydrogen Storage Mediated by Pd and Pt Nanoparticles
    • Yamauchi, M.; Kobayashi, H.; Kitagawa, H. Hydrogen Storage Mediated by Pd and Pt Nanoparticles ChemPhysChem 2009, 10, 2566-2576
    • (2009) ChemPhysChem , vol.10 , pp. 2566-2576
    • Yamauchi, M.1    Kobayashi, H.2    Kitagawa, H.3
  • 28
    • 66149171178 scopus 로고    scopus 로고
    • Combined Experimental and Theoretical Investigation of Nanosized Effects of Pt Catalyst on Their Underlying Methanol Electro-Oxidation Activity
    • Lin, Y. C.; Chou, H. L.; Tsai, M. C.; Hwang, B. J.; Sarma, L. S.; Lee, Y. C.; Chen, C. I. Combined Experimental and Theoretical Investigation of Nanosized Effects of Pt Catalyst on Their Underlying Methanol Electro-Oxidation Activity J. Phys. Chem. C 2009, 113, 9197-9205
    • (2009) J. Phys. Chem. C , vol.113 , pp. 9197-9205
    • Lin, Y.C.1    Chou, H.L.2    Tsai, M.C.3    Hwang, B.J.4    Sarma, L.S.5    Lee, Y.C.6    Chen, C.I.7
  • 32
    • 28944432424 scopus 로고    scopus 로고
    • Nucleation and growth mechanism of Pd/Pt bimetallic clusters in sodium Bis(2-ethylhexyl)sulfosuccinate (AOT) reverse micelles as studied by in situ x-ray absorption spectroscopy
    • DOI 10.1021/jp054062t
    • Chen, C. H.; Hwang, B. J.; Wang, G. R.; Sarma, L. S.; Tang, M. T.; Liu, D. G.; Lee, J. F. Nucleation and Growth Mechanism of Pd/Pt Bimetallic Clusters in Sodium Bis(2-ethylhexyl)sulfosuccinate (AOT) Reverse Micelles as Studied by in Situ X-ray Absorption Spectroscopy J. Phys. Chem. B 2005, 109, 21566-21575 (Pubitemid 41784784)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.46 , pp. 21566-21575
    • Chen, C.-H.1    Hwang, B.-J.2    Wang, G.-R.3    Sarma, L.S.4    Tang, M.-T.5    Liu, D.-G.6    Lee, J.-F.7
  • 33
    • 77955019419 scopus 로고    scopus 로고
    • Architecture of Pd-Au Bimetallic Nanoparticles in Sodium Bis(2-ethylhexyl)sulfosuccinate Reverse Micelles As Investigated by X-ray Absorption Spectroscopy
    • Chen, C. H.; Sarma, L. S.; Chen, J. M.; Shih, S. C.; Wang, G. R.; Liu, D. G.; Tang, M. T.; Lee, J. F.; Hwang, B. J. Architecture of Pd-Au Bimetallic Nanoparticles in Sodium Bis(2-ethylhexyl)sulfosuccinate Reverse Micelles As Investigated by X-ray Absorption Spectroscopy ACS Nano 2007, 1, 114-125
    • (2007) ACS Nano , vol.1 , pp. 114-125
    • Chen, C.H.1    Sarma, L.S.2    Chen, J.M.3    Shih, S.C.4    Wang, G.R.5    Liu, D.G.6    Tang, M.T.7    Lee, J.F.8    Hwang, B.J.9
  • 35
    • 33646359204 scopus 로고    scopus 로고
    • Probing the formation mechanism and chemical states of carbon-supported Pt-Ru nanoparticles by in situ X-ray absorption spectroscopy
    • DOI 10.1021/jp0563686
    • Hwang, B. J.; Chen, C. H.; Sarma, L. S.; Chen, J. M.; Wang, G. R.; Tang, M. T.; Liu, D. G.; Lee, J. F. Probing the Formation Mechanism and Chemical States of Carbon-Supported Pt-Ru Nanoparticles by in Situ X-ray Absorption Spectroscopy J. Phys. Chem. B 2006, 110, 6475-6482 (Pubitemid 43672112)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.13 , pp. 6475-6482
    • Hwang, B.J.1    Chen, C.-H.2    Sarma, L.S.3    Chen, J.-M.4    Wang, G.-R.5    Tang, M.-T.6    Liu, D.-G.7    Lee, J.-F.8
  • 38
    • 11344250296 scopus 로고    scopus 로고
    • Genesis of bimetallic Pt-Cu clusters in reverse micelles investigated by in situ X-ray absorption spectroscopy
    • DOI 10.1021/jp0458021
    • Hwang, B. J.; Tsai, Y. W.; Sarma, L. S.; Tseng, Y. L.; Liu, D. G.; Lee, J. F. Genesis of Bimetallic Pt-Cu Clusters in Reverse Micelles Investigated by in Situ X-ray Absorption Spectroscopy J. Phys. Chem. B 2004, 108, 20427-20434 (Pubitemid 40073560)
    • (2004) Journal of Physical Chemistry B , vol.108 , Issue.52 , pp. 20427-20434
    • Hwang, B.-J.1    Tsai, Y.-W.2    Sarma, L.S.3    Tseng, Y.-L.4    Liu, D.-G.5    Lee, J.-F.6
  • 41
    • 0037034161 scopus 로고    scopus 로고
    • Determination of the platinum and ruthenium surface areas in platinum-ruthenium alloy electrocatalysts by underpotential deposition of Copper. I. Unsupported catalysts
    • DOI 10.1021/jp0131931
    • Green, C. L.; Kucernak, A. Determination of the Platinum and Ruthenium Surface Areas in Platinum-Ruthenium Alloy Electrocatalysts by Underpotential Deposition of Copper. I. Unsupported Catalysts J. Phys. Chem. B 2002, 106, 1036-1047 (Pubitemid 35276141)
    • (2002) Journal of Physical Chemistry B , vol.106 , Issue.5 , pp. 1036-1047
    • Green, C.L.1    Kucernak, A.2
  • 43
    • 0029409986 scopus 로고
    • Reaction Mechanism of Electroless Deposition: Observations of Morphology Evolution during Nucleation and Growth via Tapping Mode AFM
    • Hwang, B. J.; Lin, S. H. Reaction Mechanism of Electroless Deposition: Observations of Morphology Evolution during Nucleation and Growth via Tapping Mode AFM J. Electrochem. Soc. 1995, 142, 3749-3754
    • (1995) J. Electrochem. Soc. , vol.142 , pp. 3749-3754
    • Hwang, B.J.1    Lin, S.H.2
  • 44
    • 0033537783 scopus 로고    scopus 로고
    • Dependence of Stretching Frequency on Surface Coverage and Adsorbate-Adsorbate Interactions: A Density-Functional Theory Approach of CO on Pd (111)
    • Loffreda, D.; Simon, D.; Sautet, P. Dependence of Stretching Frequency on Surface Coverage and Adsorbate-Adsorbate Interactions: a Density-Functional Theory Approach of CO on Pd (111) Surf. Sci. 1999, 425, 68-80
    • (1999) Surf. Sci. , vol.425 , pp. 68-80
    • Loffreda, D.1    Simon, D.2    Sautet, P.3
  • 45
    • 0035921115 scopus 로고    scopus 로고
    • CO and NO Adsorption and Co-adsorption on the Pd(1 1 1) Surface
    • Honkala, K.; Pirilä, P.; Laasonen, K. CO and NO Adsorption and Co-adsorption on the Pd(1 1 1) Surface Surf. Sci. 2001, 489, 72-82
    • (2001) Surf. Sci. , vol.489 , pp. 72-82
    • Honkala, K.1    Pirilä, P.2    Laasonen, K.3
  • 46
    • 52049115850 scopus 로고    scopus 로고
    • Facile Synthesis of Bimetallic Nanoplates Consisting of Pd Cores and Pt Shells through Seeded Epitaxial Growth
    • Lim, B.; Wang, J.; Camargo, P. H. C.; Jiang, M.; Kim, M. J.; Xia, Y. Facile Synthesis of Bimetallic Nanoplates Consisting of Pd Cores and Pt Shells through Seeded Epitaxial Growth Nano Lett. 2008, 8, 2535-2540
    • (2008) Nano Lett. , vol.8 , pp. 2535-2540
    • Lim, B.1    Wang, J.2    Camargo, P.H.C.3    Jiang, M.4    Kim, M.J.5    Xia, Y.6
  • 47
    • 59349111766 scopus 로고    scopus 로고
    • Sub-Angstrom-Resolution Diffractive Imaging of Single Nanocrystals
    • Huang, W. J.; Zuo, J. M.; Jiang, B.; Kwon, K. W.; Shim, M. Sub-Angstrom-Resolution Diffractive Imaging of Single Nanocrystals Nat. Phys. 2009, 5, 129-133
    • (2009) Nat. Phys. , vol.5 , pp. 129-133
    • Huang, W.J.1    Zuo, J.M.2    Jiang, B.3    Kwon, K.W.4    Shim, M.5
  • 48
    • 35748975938 scopus 로고    scopus 로고
    • Shape-controlled synthesis of metal nanostructures: The case of palladium
    • DOI 10.1002/adma.200701301
    • Xiong, Y.; Xia, Y. Shape-Controlled Synthesis of Metal Nanostructures: The Case of Palladium Adv. Mater. 2007, 19, 3385-3391 (Pubitemid 350044489)
    • (2007) Advanced Materials , vol.19 , Issue.20 , pp. 3385-3391
    • Xiong, Y.1    Xia, Y.2
  • 49
    • 1342281222 scopus 로고    scopus 로고
    • Tailoring, Structure, and Activity of Carbon-Supported Nanosized Pt-Cr Alloy Electrocatalysts for Oxygen Reduction in Pure and Methanol-Containing Electrolytes
    • Yang, H.; Alonso-Vante, N.; Léger, J. M.; Lamy, C. Tailoring, Structure, and Activity of Carbon-Supported Nanosized Pt-Cr Alloy Electrocatalysts for Oxygen Reduction in Pure and Methanol-Containing Electrolytes J. Phys. Chem. B 2004, 108, 1938-1947
    • (2004) J. Phys. Chem. B , vol.108 , pp. 1938-1947
    • Yang, H.1    Alonso-Vante, N.2    Léger, J.M.3    Lamy, C.4
  • 50
    • 4043097481 scopus 로고    scopus 로고
    • Structure and Electrocatalytic Activity of Carbon-Supported Pt-Ni Alloy Nanoparticles Toward the Oxygen Reduction Reaction
    • Yang, H.; Vogel, W.; Lamy, C.; Alonso-Vante, N. Structure and Electrocatalytic Activity of Carbon-Supported Pt-Ni Alloy Nanoparticles Toward the Oxygen Reduction Reaction J. Phys. Chem. B 2004, 108, 11024-11034
    • (2004) J. Phys. Chem. B , vol.108 , pp. 11024-11034
    • Yang, H.1    Vogel, W.2    Lamy, C.3    Alonso-Vante, N.4
  • 51
    • 84855741416 scopus 로고    scopus 로고
    • The guidelines for data collection modes for EXAFS measurements and user-controlled parameters
    • The guidelines for data collection modes for EXAFS measurements and user-controlled parameters: http://ixs.iit.edu/subcommittee-reports/sc/ sc00report.pdf.
  • 52
    • 84855746986 scopus 로고    scopus 로고
    • The guidelines for errors reporting
    • The guidelines for errors reporting: http://ixs.iit.edu/subcommittee- reports/sc/err.
  • 53
    • 20544463457 scopus 로고
    • Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism
    • Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
    • (1990) Phys. Rev. B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 54
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 55
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 56
    • 43949151924 scopus 로고
    • Gradient Corrections in Density Functional Theory Calculations for Surfaces: Co on Pd{110}
    • Hu, P.; King, D. A.; Crampin, S.; Lee, M. H.; Payne, M. C. Gradient Corrections in Density Functional Theory Calculations for Surfaces: Co on Pd{110} Chem. Phys. Lett. 1994, 230, 501-506
    • (1994) Chem. Phys. Lett. , vol.230 , pp. 501-506
    • Hu, P.1    King, D.A.2    Crampin, S.3    Lee, M.H.4    Payne, M.C.5
  • 57
    • 23244460838 scopus 로고
    • Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation
    • Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 58
    • 12844286241 scopus 로고
    • Ab Initio Molecular Dynamics for Liquid Metals
    • Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 59
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 60
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set J. Comput. Mater. Sci. 1996, 6, 15
    • (1996) J. Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmüller2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.