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  Author Title (down) Year Publication Volume Times cited Additional Links Links
Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J. Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme 2013 ChemPhysChem : a European journal of chemical physics and physical chemistry 14 9 UA library record; WoS full record; WoS citing articles doi
Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A. Vibrational properties of silicene and germanene 2013 Nano Research 6 105 UA library record; WoS full record; WoS citing articles doi
Scalise, E.; Cinquanta, E.; Houssa, M.; van den Broek, B.; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.; Vibrational properties of epitaxial silicene layers on (111) Ag 2014 Applied surface science 291 36 UA library record; WoS full record; WoS citing articles doi
Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A. Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion 2012 Physical review : B : condensed matter and materials physics 85 31 UA library record; WoS full record; WoS citing articles url doi
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization 2014 2D materials 1 58 UA library record; WoS full record; WoS citing articles pdf doi
Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G. Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study 2017 ACS applied materials and interfaces 9 10 UA library record; WoS full record; WoS citing articles pdf doi
Yu, H.; Schaekers, M.; Chew, S.A.; Eyeraert, J.-L.; Dabral, A.; Pourtois, G.; Horiguchi, N.; Mocuta, D.; Collaert, N.; De Meyer, K. Titanium (germano-)silicides featuring 10-9 Ω.cm2 contact resistivity and improved compatibility to advanced CMOS technology 2018 2018 18th International Workshop On Junction Technology (iwjt) UA library record; WoS full record pdf
Dutta, S.; Sankaran, K.; Moors, K.; Pourtois, G.; Van Elshocht, S.; Bommels, J.; Vandervorst, W.; Tokei, Z.; Adelmann, C. Thickness dependence of the resistivity of platinum-group metal thin films 2017 Journal of applied physics 122 42 UA library record; WoS full record; WoS citing articles doi
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Theoretical study of silicene and germanene 2013 Graphene, Ge/iii-v, And Emerging Materials For Post Cmos Applications 5 6 UA library record; WoS full record; WoS citing articles pdf doi
Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.; Theoretical aspects of graphene-like group IV semiconductors 2014 Applied surface science 291 20 UA library record; WoS full record; WoS citing articles doi
Dabral, A.; Pourtois, G.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Collaert, N.; Horiguchi, N.; Houssa, M. Study of the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations 2018 ECS journal of solid state science and technology 7 2 UA library record; WoS full record; WoS citing articles doi
Mehta, A.N.; Zhang, H.; Dabral, A.; Richard, O.; Favia, P.; Bender, H.; Delabie, A.; Caymax, M.; Houssa, M.; Pourtois, G.; Vandervorst, W. Structural characterization of SnS crystals formed by chemical vapour deposition 2017 Journal of microscopy T2 – 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND 268 2 UA library record; WoS full record; WoS citing articles pdf doi
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Structural and vibrational properties of amorphous GeO2 from first-principles 2011 Applied physics letters 98 226 UA library record; WoS full record; WoS citing articles doi
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 2012 Nano Research 5 407 UA library record; WoS full record; WoS citing articles pdf doi
Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study 2013 Physical chemistry, chemical physics 15 3 UA library record; WoS full record; WoS citing articles url doi
Vohra, A.; Makkonen, I.; Pourtois, G.; Slotte, J.; Porret, C.; Rosseel, E.; Khanam, A.; Tirrito, M.; Douhard, B.; Loo, R.; Vandervorst, W. Source/drain materials for Ge nMOS devices: phosphorus activation in epitaxial Si, Ge, Ge1-xSnx and SiyGe1-x-ySnx 2020 Ecs Journal Of Solid State Science And Technology 9 UA library record; WoS full record; WoS citing articles url doi
Nourbakhsh, A.; Cantoro, M.; Klekachev, A.V.; Pourtois, G.; Vosch, T.; Hofkens, J.; van der Veen, M.H.; Heyns, M.M.; de Gendt, S.; Sels, B.F. Single layer vs bilayer graphene : a comparative study of the effects of oxygen plasma treatment on their electronic and optical properties 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 46 UA library record; WoS full record; WoS citing articles doi
van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport 2016 Nano Research 9 2 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. Self-limiting oxidation in small-diameter Si nanowires 2012 Chemistry of materials 24 45 UA library record; WoS full record; WoS citing articles doi
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies 2012 Theoretical chemistry accounts : theory, computation, and modeling 131 5 UA library record; WoS full record; WoS citing articles doi
Clima, S.; Sankaran, K.; Chen, Y.Y.; Fantini, A.; Celano, U.; Belmonte, A.; Zhang, L.; Goux, L.; Govoreanu, B.; Degraeve, R.; Wouters, D.J.; Jurczak, M.; Vandervorst, W.; Gendt, S.D.; Pourtois, G.; RRAMs based on anionic and cationic switching : a short overview 2014 Physica status solidi: rapid research letters 8 28 UA library record; WoS full record; WoS citing articles doi
De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. Resistivity scaling model for metals with conduction band anisotropy 2018 Physical review materials 2 UA library record; WoS full record; WoS citing articles url doi
Khalilov, U.; Pourtois, G.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires 2013 Nanoscale 5 17 UA library record; WoS full record; WoS citing articles pdf doi
Delabie, A.; Sioncke, S.; Rip, J.; Van Elshocht, S.; Pourtois, G.; Mueller, M.; Beckhoff, B.; Pierloot, K. Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates 2012 Journal of vacuum science and technology: A: vacuum surfaces and films 30 41 UA library record; WoS full record; WoS citing articles doi
Pham, A.-T.; Sorée, B.; Magnus, W.; Jungemann, C.; Meinerzhagen, B.; Pourtois, G. Quantum simulations of electrostatics in Si cylindrical junctionless nanowire nFETs and pFETs with a homogeneous channel including strain and arbitrary crystallographic orientations 2012 Solid state electronics 71 2 UA library record; WoS full record; WoS citing articles pdf doi
Hardy, A.; Van Elshocht, S.; De Dobbelaere, C.; Hadermann, J.; Pourtois, G.; De Gendt, S.; Afanas'ev, V.V.; Van Bael, M.K. Properties and thermal stability of solution processed ultrathin, high-k bismuth titanate (Bi2Ti2O7) films 2012 Materials research bulletin 47 UA library record; WoS full record; WoS citing articles pdf doi
Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations 2017 Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar 1 UA library record; WoS full record; WoS citing articles pdf doi
de de Meux, A.J.; Bhoolokam, A.; Pourtois, G.; Genoe, J.; Heremans, P. Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects 2017 Physica status solidi : A : applications and materials science 214 8 UA library record; WoS full record; WoS citing articles pdf doi
Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A. Oxidation of the GaAs(001) surface : insights from first-principles calculations 2012 Physical review : B : condensed matter and materials physics 85 15 UA library record; WoS full record; WoS citing articles url doi
Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles 2020 Physica Status Solidi-Rapid Research Letters 3 UA library record; WoS full record; WoS citing articles pdf doi
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