Yazar "Peeters, Francois M." için listeleme
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Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers
Çakır, Deniz; Sevik, Cem; Peeters, Francois M. (Royal Soc Chemistry, 2014)Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a ... -
Gate induced monolayer behavior in twisted bilayer black phosphorus
Sevik, Cem; Wallbank, John R.; Gülseren, Oğuz; Peeters, Francois M.; Çakır, Deniz (IOP Publishing LTD, 2017)Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the ... -
In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions
Aierken, Yierpan; Sevik, Cem; Gülseren, Oğuz; Peeters, Francois M.; Çakır, Deniz (IOP Publishing LTD, 2018)There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the ... -
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study
Çakır, Deniz; Peeters, Francois M.; Sevik, Cem (Amer Inst Physics, 2014)Using density functional theory, we obtain the mechanical and thermal properties of MX2 monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The C-centered phonon frequencies (i.e., A(1), A(2)'', E ', and E ''), relative ... -
Mo2C as a high capacity anode material: a first-principles study
Çakır, Deniz; Sevik, Cem; Gülseren, Oğuz; Peeters, Francois M. (Royal Soc Chemistry, 2016)The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. ... -
MXenes/graphene heterostructures for Li battery applications: a first principles study
Aierken, Yierpan; Sevik, Cem; Gülseren, Oğuz; Peeters, Francois M.; Çakır, Deniz (Royal Soc Chemistry, 2018)MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this ... -
Peculiar Piezoelectric Properties of Soft Two-Dimensional Materials
Sevik, Cem; Çakır, Deniz; Gülseren, Oğuz; Peeters, Francois M. (American Chemical Society, 2016)Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles ... -
Piezoelectricity in two-dimensional materials: Comparative study between lattice dynamics and ab initio calculations
Michel, K. H.; Çakır, Deniz; Sevik, Cem; Peeters, Francois M. (Amer Physical Soc, 2017)The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using ... -
Promising Piezoelectric Performance of Single Layer Transition-Metal Dichalcogenides and Dioxides
Alyörük, M. Menderes; Aierken, Yierpan; Çakır, Deniz; Peeters, Francois M.; Sevik, Cem (American Chemical Society, 2015)Piezoelectricity is a unique material property that allows one to convert mechanical energy into electrical one or vice versa. Transition metal dichalcogenides (TMDC) and transition metal dioxides (TMDO) are expected to ... -
Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus
Çakır, Deniz; Sevik, Cem; Peeters, Francois M. (Amer Physical Soc, 2015)The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the ... -
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach
Aierken, Yierpan; Çakır, Deniz; Sevik, Cem; Peeters, Francois M. (Amer Physical Soc, 2015)Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical ...
