Crystallographic perturbations to valence charge density and hydrogen-surface interactions
作者： James W. Ciston
DOI:
关键词: Chemistry 、 Charge density 、 Valence (chemistry) 、 Hydrogen 、 Crystallography
摘要:
harvard.edu参考文章(200)
R.R. Meyer, A.I. Kirkland, W.O. Saxton, A new method for the determination of the wave aberration function for high-resolution TEM.: 2. Measurement of the antisymmetric aberrations Ultramicroscopy. ,vol. 99, pp. 115- 123 ,(2004) , 10.1016/J.ULTRAMIC.2003.11.001
Amanda M. Fond, Gerald J. Meyer, Biotoxicity of Metal Oxide Nanoparticles Nanotechnologies for the Life Sciences. ,(2007) , 10.1002/9783527610419.NTLS0048
J. M. Zuo, M. Kim, M. O'Keeffe, J. C. H. Spence, Direct observation of d-orbital holes and Cu-Cu bonding in Cu2O Nature. ,vol. 401, pp. 49- 52 ,(1999) , 10.1038/43403
F Richard, R Bader, Atoms in molecules : a quantum theory Clarendon Press. ,(1990)
J. Ciston, A. Subramanian, L. D. Marks, Water-driven structural evolution of the polar MgO (111) surface: An integrated experimental and theoretical approach Physical Review B. ,vol. 79, pp. 085421- ,(2009) , 10.1103/PHYSREVB.79.085421
James Ciston, Christopher S. Own, Laurence D. Marks, Anatoly S. Avilov, Sergei L. Dudarev, Laurence D. Marks, Cone‐angle Dependence of Ab‐initio Structure Solutions Using Precession Electron Diffraction 1st International Conferrence on Electronic Microscopy and Multi-Scale Modelling, EMMM-2007. ,vol. 999, pp. 53- 65 ,(2008) , 10.1063/1.2918117
J. Ciston, A. Subramanian, I. K. Robinson, L. D. Marks, Diffraction refinement of localized antibonding at the Si(111) 7×7 surface Physical Review B. ,vol. 79, pp. 193302- ,(2009) , 10.1103/PHYSREVB.79.193302
Laurence D. Marks, James Ciston, Bin Deng, Arun Subramanian, Fitting valence charge densities at a crystal surface. Acta Crystallographica Section A. ,vol. 62, pp. 309- 315 ,(2006) , 10.1107/S0108767306021295
Vladimir I. Anisimov, Jan Zaanen, Ole K. Andersen, Band theory and Mott insulators: Hubbard U instead of Stoner I. Physical Review B. ,vol. 44, pp. 943- 954 ,(1991) , 10.1103/PHYSREVB.44.943
H. Fox, M.J. Gillan, A.P. Horsfield, Methods for calculating the desorption rate of an isolated molecule from a surface: Water on MgO(0 0 1) Surface Science. ,vol. 601, pp. 5016- 5025 ,(2007) , 10.1016/J.SUSC.2007.08.024