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Author |
Title |
Year  |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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Verberck, B.; Okazaki, T.; Tarakina, N.V. |
Ordered and disordered packing of coronene molecules in carbon nanotubes |
2013 |
Physical chemistry, chemical physics |
15 |
9 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Adjizian, J.J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A.A.; Snyders, R.; Gengler, R.Y.N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C.P.; |
Platinum and palladium on carbon nanotubes : experimental and theoretical studies |
2013 |
Chemical physics letters |
571 |
23 |
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 |
|
|
|
Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M. |
Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study |
2013 |
Chemical physics letters |
556 |
3 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Çakir, D.; Sahin, H.; Peeters, F.M. |
Doping of rhenium disulfide monolayers : a systematic first principles study |
2014 |
Physical chemistry, chemical physics |
16 |
58 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. |
Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy |
2014 |
The journal of chemical physics |
140 |
30 |
UA library record; WoS full record; WoS citing articles |
|
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Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. |
High throughput first-principles calculations of bixbyite oxides for TCO applications |
2014 |
Physical chemistry, chemical physics |
16 |
23 |
UA library record; WoS full record; WoS citing articles |
|
|
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Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity |
2014 |
Physical chemistry, chemical physics |
16 |
43 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bal, K.M.; Neyts, E.C. |
On the time scale associated with Monte Carlo simulations |
2014 |
The journal of chemical physics |
141 |
26 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels |
2014 |
Physical chemistry, chemical physics |
16 |
47 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. |
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) |
2014 |
Physical chemistry, chemical physics |
16 |
10 |
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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Çakir, D.; Kecik, D.; Sahin, H.; Durgun, E.; Peeters, F.M. |
Realization of a p-n junction in a single layer boron-phosphide |
2015 |
Physical chemistry, chemical physics |
17 |
104 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. |
Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential |
2015 |
The journal of chemical physics |
142 |
7 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. |
The role of the VZn-NO-H complex in the p-type conductivity in ZnO |
2015 |
Physical chemistry, chemical physics |
17 |
20 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Çakir, D.; Peeters, F.M. |
Fluorographane : a promising material for bipolar doping of MoS2 |
2015 |
Physical chemistry, chemical physics |
17 |
7 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Kang, J.; Sahin, H.; Peeters, F.M. |
Mechanical properties of monolayer sulphides : a comparative study between MoS2, HfS2 and TiS3 |
2015 |
Physical chemistry, chemical physics |
17 |
83 |
UA library record; WoS full record; WoS citing articles |
|
|
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Filez, M.; Redekop, E.A.; Galvita, V.V.; Poelman, H.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Bell, A.T.; Marin, G.B. |
The role of hydrogen during Pt-Ga nanocatalyst formation |
2016 |
Physical chemistry, chemical physics |
18 |
10 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Nikolaev, A.V.; Lamoen, D.; Partoens, B. |
Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions |
2016 |
The journal of chemical physics |
145 |
11 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon |
2016 |
Physical chemistry, chemical physics |
18 |
34 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Aierken, Y.; Leenaerts, O.; Peeters, F.M. |
A first-principles study of stable few-layer penta-silicene |
2016 |
Physical chemistry, chemical physics |
18 |
42 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Calizzi, M.; Venturi, F.; Ponthieu, M.; Cuevas, F.; Morandi, V.; Perkisas, T.; Bals, S.; Pasquini, L. |
Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage |
2016 |
Physical chemistry, chemical physics |
18 |
31 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Yagmurcukardes, M.; Horzum, S.; Torun, E.; Peeters, F.M.; Senger, R.T. |
Nitrogenated, phosphorated and arsenicated monolayer holey graphenes |
2016 |
Physical chemistry, chemical physics |
18 |
36 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Ali, S.; Myasnichenko, V.S.; Neyts, E.C. |
Size-dependent strain and surface energies of gold nanoclusters |
2016 |
Physical chemistry, chemical physics |
18 |
37 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Aierken, Y.; Çakir, D.; Peeters, F.M. |
Strain enhancement of acoustic phonon limited mobility in monolayer TiS3 |
2016 |
Physical chemistry, chemical physics |
18 |
24 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Dabaghmanesh, S.; Neyts, E.C.; Partoens, B. |
van der Waals density functionals applied to corundum-type sesquioxides : bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces |
2016 |
Physical chemistry, chemical physics |
18 |
6 |
UA library record; WoS full record; WoS citing articles |
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De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K. |
Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films |
2016 |
Materials chemistry and physics |
174 |
4 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. |
Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study |
2017 |
Physical chemistry, chemical physics |
19 |
19 |
UA library record; WoS full record; WoS citing articles |
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Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. |
Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity |
2017 |
Materials chemistry and physics |
186 |
17 |
UA library record; WoS full record; WoS citing articles |
|
|
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Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
Structural and electronic properties of defects at grain boundaries in CuInSe2 |
2017 |
Physical chemistry, chemical physics |
19 |
12 |
UA library record; WoS full record; WoS citing articles |
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