Browsing by Author Stampfl, C

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Showing results 1 to 10 of 10
Issue DateTitleAuthor(s)
11-Mar-2014CHx adsorption (x = 1-4) and thermodynamic stability on the CeO2(111) surface: A first-principles investigationFronzi, M; Piccinin, S; Delley, B; Traversa, E; Stampfl, C
1-Jan-2017Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbonKratzer, P; Tawfik, SA; Cui, XY; Stampfl, C
28-Sep-2017First-principles investigation of quantum emission from hBN defectsTawfik, SA; Ali, S; Fronzi, M; Kianinia, M; Tran, TT; Stampfl, C; Aharonovich, I; Toth, M; Ford, MJ
8-Sep-2015High On/Off Conductance Switching Ratio via H-Tautomerization in QuinoneTawfik, SA; Cui, XY; Ringer, SP; Stampfl, C
3-Jan-2013Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principlesFair, KM; Cui, XY; Li, L; Shieh, CC; Zheng, RK; Liu, ZW; Delley, B; Ford, MJ; Ringer, SP; Stampfl, C
1-Jan-2015Multiple CO<inf>2</inf> capture in stable metal-doped graphene: A theoretical trend studyTawfik, SA; Cui, XY; Ringer, SP; Stampfl, C
18-May-2017Near-Perfect Spin Filtering and Negative Differential Resistance in an Fe(II)S ComplexTawfik, SA; Weston, L; Cui, XY; Ringer, SP; Stampfl, C
14-Mar-2015Sensing sulfur-containing gases using titanium and tin decorated zigzag graphene nanoribbons from first-principlesAbdulkader Tawfik, S; Cui, XY; Carter, DJ; Ringer, SP; Stampfl, C
30-Nov-2017TDDFT Study of the Optical Excitation of Nucleic Acid Bases-C<inf>60</inf>ComplexesTawfik, SA; Cui, XY; Ringer, SP; Stampfl, C
-van der Waals forces control the internal chemical structure of monolayers within ABP2X6 lamellar materialsTawfik, SA; Reimers, JR; Stampfl, C; Ford, MJ