화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Monte Carlo Calculations of the Free Energy of Binary SII Hydrogen Clathrate Hydrates for Identifying Efficient Promoter Molecules
Atamas AA, Cuppen HM, Koudriachova MV, de Leeuw SW
Journal of Physical Chemistry B, 117(4), 1155, 2013
2 Combining the Pair Distribution Function and Computational Methods To Understand Lithium Insertion in Brookite (TiO2)
Dambournet D, Chapman KW, Koudriachova MV, Chupas PJ, Belharouak I, Amine K
Inorganic Chemistry, 50(13), 5855, 2011
3 Effect of particle size on the phase behavior of Li-intercalated TiO2-rutile
Koudriachova MV
Journal of Power Sources, 196(16), 6898, 2011
4 Ramsdellite-structured LiTiO2: A new phase predicted from ab initio calculations
Koudriachova MV
Chemical Physics Letters, 458(1-3), 108, 2008
5 First principles predictions for intercalation behaviour
Koudriachova MV, Harrison NM, de Leeuw SW
Solid State Ionics, 175(1-4), 829, 2004
6 A new phase of lithiated titania predicted from first principles
Koudriachova MV, de Leeuw SW, Harrison NM
Chemical Physics Letters, 371(1-2), 150, 2003
7 Open circuit voltage profile for Li-intercalation in rutile and anatase from first principles
Koudriachova MV, Harrison NM, de Leeuw SW
Solid State Ionics, 152, 189, 2002
8 Theory of anomalous voltage-discharge behavior for topotactic intercalation
Kalikmanov VI, Koudriachova MV, de Leeuw SW
Solid State Ionics, 127(1-2), 163, 2000
9 Lattice-gas model for intercalation compounds
Kalikmanov VI, Koudriachova MV, de Leeuw SW
Solid State Ionics, 136-137, 1373, 2000