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  Author (down) Title Year Publication Volume Times cited Additional Links Links
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
Pham, A.-T.; Zhao, Q.-T.; Jungemann, C.; Meinerzhagen, B.; Mantl, S.; Sorée, B.; Pourtois, G. Comparison of strained SiGe heterostructure-on-insulator (0 0 1) and (1 1 0) PMOSFETs : CV characteristics, mobility, and ON current 2011 Solid state electronics 65-66 2 UA library record; WoS full record; WoS citing articles pdf 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
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
Nishio, K.; Lu, A.K.A.; Pourtois, G. Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations 2015 Physical review : B : condensed matter and materials physics 91 6 UA library record; WoS full record; WoS citing articles url doi
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. Establishing uniform acceptance in force biased Monte Carlo simulations 2012 Journal of chemical theory and computation 8 20 UA library record; WoS full record; WoS citing articles doi
Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T. Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 28 UA library record; WoS full record; WoS citing articles doi
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation 2011 Carbon 49 13 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
Mehta, A.N.; Mo, J.; Pourtois, G.; Dabral, A.; Groven, B.; Bender, H.; Favia, P.; Caymax, M.; Vandervorst, W. Grain-boundary-induced strain and distortion in epitaxial bilayer MoS₂ lattice 2020 Journal Of Physical Chemistry C 124 2 UA library record; WoS full record; WoS citing articles pdf doi
Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. First-principles material modeling of solid-state electrolytes with the spinel structure 2014 Physical chemistry, chemical physics 8 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
Lu, A.K.A.; Pourtois, G.; Luisier, M.; Radu, I.P.; Houssa, M. On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study 2017 Journal of applied physics 121 UA library record; WoS full record; WoS citing articles url doi
Lu, A.K.A.; Pourtois, G.; Agarwal, T.; Afzalian, A.; Radu, I.P.; Houssa, M. Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10 nm regime: A first-principles study 2016 Applied physics letters 108 4 UA library record; WoS full record; WoS citing articles 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
Lu, A.K.A.; Houssa, M.; Luisier, M.; Pourtois, G. Impact of layer alignment on the behavior of MoS2-ZrS2 tunnel field-effect transistors : an ab initio study 2017 Physical review applied 8 6 UA library record; WoS full record; WoS citing articles url doi
Loo, R.; Arimura, H.; Cott, D.; Witters, L.; Pourtois, G.; Schulze, A.; Douhard, B.; Vanherle, W.; Eneman, G.; Richard, O.; Favia, P.; Mitard, J.; Mocuta, D.; Langer, R.; Collaert, N. Epitaxial CVD Growth of Ultra-Thin Si Passivation Layers on Strained Ge Fin Structures 2018 ECS journal of solid state science and technology 7 5 UA library record; WoS full record; WoS citing articles url doi
Loo, R.; Arimura, H.; Cott, D.; Witters, L.; Pourtois, G.; Schulze, A.; Douhard, B.; Vanherle, W.; Eneman, G.; Richard, O.; Favia, P.; Mitard, J.; Mocuta, D.; Langer, R.; Collaert, N. Epitaxial CVD growth of ultra-thin Si passivation layers on strained Ge fin structures 2017 Semiconductor Process Integration 10 UA library record; WoS full record pdf doi
Khanam, A.; Vohra, A.; Slotte, J.; Makkonen, I.; Loo, R.; Pourtois, G.; Vandervorst, W. A demonstration of donor passivation through direct formation of V-As-i complexes in As-doped Ge1-XSnx 2020 Journal Of Applied Physics 127 UA library record; WoS full record; WoS citing articles url doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 32 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 27 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
Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. New mechanism for oxidation of native silicon oxide 2013 The journal of physical chemistry: C : nanomaterials and interfaces 117 24 UA library record; WoS full record; WoS citing articles pdf 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
Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T. Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 36 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. An electric field tunable energy band gap at silicene/(0001) ZnS interfaces 2013 Physical chemistry, chemical physics 15 74 UA library record; WoS full record; WoS citing articles pdf 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.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Electronic properties of hydrogenated silicene and germanene 2011 Applied physics letters 98 63 UA library record; WoS full record; WoS citing articles doi
Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Electronic properties of two-dimensional hexagonal germanium 2010 Applied physics letters 96 86 UA library record; WoS full record; WoS citing articles 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
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