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Author |
Title |
Year |
Publication |
Volume |
Times cited  |
Additional Links |
Links |
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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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
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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 |
|
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|
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 |
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|
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 |
|
|
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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 |
|
|
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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 |
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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 |
|
|
|
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 |
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Goux, L.; Fantini, A.; Govoreanu, B.; Kar, G.; Clima, S.; Chen, Y.-Y.; Degraeve, R.; Wouters, D.J.; Pourtois, G.; Jurczak, M. |
Asymmetry and switching phenomenology in TiN\ (Al2O3) \ HfO2 \ Hf systems |
2012 |
ECS solid state letters |
1 |
11 |
UA library record; WoS full record; WoS citing articles |
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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 |
|
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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 |
|
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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 |
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Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K. |
Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium |
2011 |
The journal of physical chemistry: C : nanomaterials and interfaces |
115 |
9 |
UA library record; WoS full record; WoS citing articles |
|
|
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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 |
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Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.; |
On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films |
2016 |
Applied physics letters |
108 |
9 |
UA library record; WoS full record; WoS citing articles |
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Compemolle, S.; Pourtois, G.; Sorée, B.; Magnus, W.; Chibotaru, L.F.; Ceulemans, A. |
Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference |
2008 |
Physical review : B : condensed matter and materials physics |
77 |
8 |
UA library record; WoS full record; WoS citing articles |
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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 |
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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 |
|
|
|
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. |
Defects in amorphous semiconductors : the case of amorphous indium gallium zinc oxide |
2018 |
Physical review applied |
9 |
7 |
UA library record; WoS full record; WoS citing articles |
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|
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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 |
|
|
|
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 |
|
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|
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 |
|
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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 |
|
|
|
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 |
|
|
|
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. |
Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor |
2017 |
Journal of physics : condensed matter |
29 |
5 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Vohra, A.; Khanam, A.; Slotte, J.; Makkonen, I.; Pourtois, G.; Loo, R.; Vandervorst, W. |
Evolution of phosphorus-vacancy clusters in epitaxial germanium |
2019 |
Journal of applied physics |
125 |
5 |
UA library record; WoS full record; WoS citing articles |
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