화학공학소재연구정보센터
검색결과 : 52건
No. Article
1 Comparison of standard DFT and Hubbard-DFT methods in structural and electronic properties of TiO2 polymorphs and H-titanate ultrathin sheets for DSSC application
German E, Faccio R, Mombru AW
Applied Surface Science, 428, 118, 2018
2 Electronic structure of strongly reduced ((1)over-bar11) surface of monoclinic HfO2
Cheng YX, Zhu LG, Ying YL, Zhou J, Sun ZM
Applied Surface Science, 447, 618, 2018
3 Structural, elastic and magnetic properties of Mn and Sb doped chromium nitride - An ab initio study
Lone IUN, Mohamed SSM, Banu IBS, Basha SS
Materials Chemistry and Physics, 192, 291, 2017
4 Charge and magnetic properties of 2D extended Hubbard model
Harir S, Zouhair A, Bennai M, Boughaleb Y
Molecular Crystals and Liquid Crystals, 628(1), 162, 2016
5 Theoretical study of spin-alignment control in molecular magnets
Huai P, Shimoi Y, Abe S
Current Applied Physics, 4(5), 539, 2004
6 Magnetic and charge orders in zigzag nanographene ribbons
Harigaya K, Yamashiro A, Shimoi Y, Wakabayashi K
Current Applied Physics, 4(6), 587, 2004
7 New quantum Monte Carlo formulation for modeling trans-polyacetylene properties: specific heat calculation
Goumri-Said S, Aourag H
Polymer, 45(7), 2443, 2004
8 Investigation of the electronic structure in Eu1-xDyxTiO3 by means of soft X-ray absorption spectroscopy
Mizumaki M, Agui A, Yoshii K, Nakazawa M
Solid State Ionics, 172(1-4), 565, 2004
9 Quantum Monte-Carlo calculation of correlation functions of undistorted, cis-distorted and trans-distorted polyacene
Goumri-Said S, Aourag H, Salomon L, Dufour JP
Polymer, 44(5), 1765, 2003
10 A high-resolution photoemission study hydrogen-terminated 6H-SiC surfaces
Sieber N, Seyller T, Ley L, Polcik M, James D, Riley JD, Leckey RCG
Materials Science Forum, 389-3, 713, 2002