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  Author (up) Title Year Publication Volume Times cited Additional Links Links
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
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.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
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
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
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
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
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
Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study 2013 The journal of physical chemistry: C : nanomaterials and interfaces 117 6 UA library record; WoS full record; WoS citing articles 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
Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts 2005 Microelectronic engineering 80 31 UA library record; WoS full record; WoS citing articles pdf doi
Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study 2015 The journal of physical chemistry: C : nanomaterials and interfaces 119 10 UA library record; WoS full record; WoS citing articles doi
Sankaran, K.; Clima, S.; Mees, M.; Adelmann, C.; Tokei, Z.; Pourtois, G. Exploring alternative metals to Cu and W for interconnects : an ab initio Insight 2014 2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) UA library record; WoS full record;
Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations 2015 ECS journal of solid state science and technology 4 19 UA library record; WoS full record; WoS citing articles url doi
Sankaran, K.; Moors, K.; Dutta, S.; Adelmann, C.; Tokei, Z.; Pourtois, G. Metallic ceramics for low resitivity interconnects : an ab initio insight 2018 Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA UA library record; WoS full record; WoS citing articles pdf
Sankaran, K.; Pourtois, G.; Degraeve, R.; Zahid, M.B.; Rignanese, G.-M.; Van Houdt, J. First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3 2010 Applied physics letters 97 12 UA library record; WoS full record; WoS citing articles doi
Sankaran, K.; Swerts, J.; Carpenter, R.; Couet, S.; Garello, K.; Evans, R.F.L.; Rao, S.; Kim, W.; Kundu, S.; Crotti, D.; Kar, G.S.; Pourtois, G. Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling 2018 2018 Ieee International Electron Devices Meeting (iedm) UA library record; WoS full record; WoS citing articles
Sankaran, K.; Swerts, J.; Couet, S.; Stokbro, K.; Pourtois, G. Oscillatory behavior of the tunnel magnetoresistance due to thickness variations in Ta vertical bar CoFe vertical bar MgO magnetic tunnel junctions : a first-principles study 2016 Physical review B 94 4 UA library record; WoS full record; WoS citing articles url doi
Scalise, E.; Houssa, M.; Cinquanta, E.; Grazianetti, C.; van den Broek, B.; Pourtois, G.; Stesmans, A.; Fanciulli, M.; Molle, A. Engineering the electronic properties of silicene by tuning the composition of MoX2 and GaX (X = S,Se,Te) chalchogenide templates 2014 2D materials 1 49 UA library record; WoS full record; WoS citing articles pdf 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
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. First-principles study of strained 2D MoS2 2014 Physica. E: Low-dimensional systems and nanostructures 56 72 UA library record; WoS full record; WoS citing articles doi
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Inelastic electron tunneling spectroscopy of HfO2 gate stacks : a study based on first-principles modeling 2011 Applied physics letters 99 1 UA library record; WoS full record; WoS citing articles 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.; 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
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
Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires 2015 Journal of applied physics 118 3 UA library record; WoS full record; WoS citing articles pdf url 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
Sorée, B.; Magnus, W.; Pourtois, G. Analytical and self-consistent quantum mechanical model for a surrounding gate MOS nanowire operated in JFET mode 2008 Journal of computational electronics 7 70 UA library record; WoS full record; WoS citing articles doi
Sorée, B.; Magnus, W.; Szepieniec, M.; Vandenbreghe, W.; Verhulst, A.; Pourtois, G.; Groeseneken, G.; de Gendt, S.; Heyns, M. Novel device concepts for nanotechnology : the nanowire pinch-off FET and graphene tunnelFET 2010 ECS transactions 28 UA library record; WoS full record; WoS citing articles
van den Broek, B.; Houssa, M.; Iordanidou, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Functional silicene and stanene nanoribbons compared to graphene: electronic structure and transport 2016 2D materials 3 19 UA library record; WoS full record; WoS citing articles doi
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