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Author |
Title |
Year  |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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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 |
|
|
|
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 |
|
|
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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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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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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 |
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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 |
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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 |
|
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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 |
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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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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 |
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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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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 |
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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 |
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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 |
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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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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 |
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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 |
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Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. |
First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism |
2012 |
Applied physics letters |
100 |
63 |
UA library record; WoS full record; WoS citing articles |
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Chen, Y.Y.; Pourtois, G.; Adelmann, C.; Goux, L.; Govoreanu, B.; Degreave, R.; Jurczak, M.; Kittl, J.A.; Groeseneken, G.; Wouters, D.J. |
Insights into Ni-filament formation in unipolar-switching Ni/HfO2/TiN resistive random access memory device |
2012 |
Applied physics letters |
100 |
29 |
UA library record; WoS full record; WoS citing articles |
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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 |
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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 |
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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 |
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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 |
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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 |
|
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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 |
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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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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 |
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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 |
|
|
|
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 |
|
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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 |
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