Dynamics of deuterium retention and sputtering of Li–C–O surfaces

[1]  M. Ono,et al.  Recent progress of NSTX lithium program and opportunities for magnetic fusion research , 2012 .

[2]  J. Allain,et al.  Chemical response of lithiated graphite with deuterium irradiation , 2011 .

[3]  T. Lunt,et al.  Disruption studies in ASDEX Upgrade in view of ITER , 2009 .

[4]  Stefano de Gironcoli,et al.  QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[5]  S. Stuart,et al.  Chemical sputtering from amorphous carbon under bombardment by deuterium atoms and molecules , 2007 .

[6]  Y. Ferro,et al.  First-principles study of electronic properties of hydrogenated graphite , 2006 .

[7]  T. Angot,et al.  Hydrogen adsorption on graphite (0001) surface: a combined spectroscopy-density-functional-theory study. , 2005, The Journal of chemical physics.

[8]  H. Toyoda,et al.  Dramatic reduction of chemical sputtering of graphite under intercalation of lithium , 2003 .

[9]  Zhong-Zhi Yang,et al.  General atom-bond electronegativity equalization method and its application in prediction of charge distributions in polypeptide , 2000 .

[10]  H. Toyoda,et al.  Laboratory experiment on lithium chemistry and its application to effective wall conditioning , 1999 .

[11]  Sándor Suhai,et al.  Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties , 1998 .

[12]  Janet E. Jones.  On the determination of molecular fields. —II. From the equation of state of a gas , 1924 .

[13]  Thom Vreven,et al.  Implementation and Benchmark Tests of the DFTB Method and Its Application in the ONIOM Method , 2009 .

[14]  William A. Goddard,et al.  Nature of the chemical bond , 1986 .