화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio Study
Parkes MA, Refson K, d'Ayezac M, Offer GJ, Brandon NP, Harrison NM
Journal of Physical Chemistry A, 119(24), 6412, 2015
2 Structural transformations in graphene studied with high spatial and temporal resolution
Warner JH, Rummeli MH, Ge L, Gemming T, Montanari B, Harrison NM, Buchner B, Briggs GAD
Nature Nanotechnology, 4(8), 500, 2009
3 The electronic structure of SrCu2O2 studied by synchrotron radiation excited photoemission and hybrid exchange density functional calculations
Hu JP, Payne DJ, Egdell RG, Harrison NM, Dhanak VR
Chemical Physics Letters, 450(1-3), 39, 2007
4 Aluminum chloride as a solid is not a strong Lewis acid
Murthy JK, Gross U, Rudiger S, Rao VV, Kumar VV, Wander A, Bailey CL, Harrison NM, Kemnitz E
Journal of Physical Chemistry B, 110(16), 8314, 2006
5 Composition and structure of the alpha-AIF(3)(0001) surface
Wander A, Searle BG, Bailey CL, Harrison NM
Journal of Physical Chemistry B, 109(48), 22935, 2005
6 First principles predictions for intercalation behaviour
Koudriachova MV, Harrison NM, de Leeuw SW
Solid State Ionics, 175(1-4), 829, 2004
7 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
8 Diffusion of Li-ions in rutile. An ab initio study
Koudraichova MV, Harrison NM, de Leeuw SW
Solid State Ionics, 157(1-4), 35, 2003
9 Lattice dynamics of TiO2 rutile: influence of gradient corrections in density functional calculations
Montanari B, Harrison NM
Chemical Physics Letters, 364(5-6), 528, 2002
10 Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001)
Gomes JRB, Illas F, Hernandez NC, Sanz JF, Wander A, Harrison NM
Journal of Chemical Physics, 116(4), 1684, 2002