화학공학소재연구정보센터
검색결과 : 20건
No. Article
1 Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Mounet N, Gibertini M, Schwaller P, Campi D, Merkys A, Marrazzo A, Sohier T, Castelli IE, Cepellotti A, Pizzi G, Marzari N
Nature Nanotechnology, 13(3), 246, 2018
2 Piezoelectric softening by Nb substitution in (Ba,Pb)ZrO3 ceramics
Fraygola BM, Chandrasekanar A, Bahati D, Salazar U, Biancoli A, Marzari N, Damjanovic D, Setter N
Journal of the American Ceramic Society, 100(5), 1885, 2017
3 The frontiers and the challenges
Marzari N
Nature Materials, 15(4), 381, 2016
4 Reproducibility in density functional theory calculations of solids
Lejaeghere K, Bihlmayer G, Bjorkman T, Blaha P, Blugel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dulak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Granas O, Gross EKU, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NAW, Iusan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Kucukbenli E, Kvashnin YO, Locht ILM, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordstrom L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MIJ, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunstrom P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S
Science, 351(6280), 1415, 2016
5 Band-Like Electron Transport with Record-High Mobility in the TCNQ Family
Krupskaya Y, Gibertini M, Marzari N, Morpurgo AF
Advanced Materials, 27(15), 2453, 2015
6 Chemisorbed Molecules under Potential Bias: Detailed Insights from First-Principles Vibrational Spectroscopies
Bonnet N, Dabo I, Marzari N
Electrochimica Acta, 121, 210, 2014
7 Surface Composition Tuning of Au-Pt Bimetallic Nanoparticles for Enhanced Carbon Monoxide and Methanol Electro-oxidation
Suntivich J, Xu ZC, Carlton CE, Kim J, Han BH, Lee SW, Bonnet N, Marzari N, Allard LF, Gasteiger HA, Hamad-Schifferli K, Shao-Horn Y
Journal of the American Chemical Society, 135(21), 7985, 2013
8 Self-assembled quantum dots in a nanowire system for quantum photonics
Heiss M, Fontana Y, Gustafsson A, Wust G, Magen C, O'Regan DD, Luo JW, Ketterer B, Conesa-Boj S, Kuhlmann AV, Houel J, Russo-Averchi E, Morante JR, Cantoni M, Marzari N, Arbiol J, Zunger A, Warburton RJ, Morral AFI
Nature Materials, 12(5), 439, 2013
9 Diameter Effect on the Sidewall Functionalization of Single-Walled Carbon Nanotubes by Addition of Dichlorocarbene
Zhang K, Zhang Q, Liu C, Marzari N, Stellacci F
Advanced Functional Materials, 22(24), 5216, 2012
10 The shear mode of multilayer graphene
Tan PH, Han WP, Zhao WJ, Wu ZH, Chang K, Wang H, Wang YF, Bonini N, Marzari N, Pugno N, Savini G, Lombardo A, Ferrari AC
Nature Materials, 11(4), 294, 2012