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  Author Title Year (up) Publication Volume Times cited Additional Links Links
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
Clima, S.; Kaczer, B.; Govoreanu, B.; Popovici, M.; Swerts, J.; Verhulst, A.S.; Jurczak, M.; De Gendt, S.; Pourtois, G. Determination of ultimate leakage through rutile TiO2 and tetragonal ZrO2 from ab initio complex band calculations 2013 IEEE electron device letters 34 3 UA library record; WoS full record; WoS citing articles doi
Delabie, A.; Jayachandran, S.; Caymax, M.; Loo, R.; Maggen, J.; Pourtois, G.; Douhard, B.; Conard, T.; Meersschaut, J.; Lenka, H.; Vandervorst, W.; Heyns, M.; Epitaxial chemical vapor deposition of silicon on an oxygen monolayer on Si(100) substrates 2013 ECS solid state letters 2 12 UA library record; WoS full record; WoS citing articles url 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
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
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
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
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
Adelmann, C.; Wen, L.G.; Peter, A.P.; Pourtois, G.; et al. Alternative metals for advanced interconnects 2014 2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) UA library record; WoS full record;
Xu, X.; Vereecke, G.; Chen, C.; Pourtois, G.; Armini, S.; Verellen, N.; Tsai, W.K.; Kim, D.W.; Lee, E.; Lin, C.Y.; Van Dorpe, P.; Struyf, H.; Holsteyns, F.; Moshchalkov, V.; Indekeu, J.; De Gendt, S.; Capturing wetting states in nanopatterned silicon 2014 ACS nano 8 39 UA library record; WoS full record; WoS citing articles doi
van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Current-voltage characteristics of armchair Sn nanoribbons 2014 Physica status solidi: rapid research letters 8 9 UA library record; WoS full record; WoS citing articles 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
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;
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. First-principles electronic functionalization of silicene and germanene by adatom chemisorption 2014 Applied surface science 291 32 UA library record; WoS full record; WoS citing articles 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
Clima, S.; Wouters, D.J.; Adelmann, C.; Schenk, T.; Schroeder, U.; Jurczak, M.; Pourtois, G. Identification of the ferroelectric switching process and dopant-dependent switching properties in orthorhombic HfO2 : a first principles insight 2014 Applied physics letters 104 79 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
Clima, S.; Govoreanu, B.; Jurczak, M.; Pourtois, G. HfOx as RRAM material : first principles insights on the working principles 2014 Microelectronic engineering 120 22 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
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.; 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
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
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.; 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
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
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
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor : structure, tail states and strain effects 2015 Journal of physics: D: applied physics 48 23 UA library record; WoS full record; WoS citing articles pdf doi
Clima, S.; Chen, Y.Y.; Fantini, A.; Goux, L.; Degraeve, R.; Govoreanu, B.; Pourtois, G.; Jurczak, M. Intrinsic tailing of resistive states distributions in amorphous <tex>HfOx </tex> and TaOx based resistive random access memories 2015 IEEE electron device letters 36 33 UA library record; WoS full record; WoS citing articles doi
Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G. First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device 2016 Journal of applied physics 119 17 UA library record; WoS full record; WoS citing articles url doi
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