Kurum Yazarı "Sevik, Cem" WoS İndeksli Yayınlar Koleksiyonu İçin Listeleme
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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 ... -
On the limitations of the DFT plus U approach to energetics of actinides
Bajaj, Saurabh; Sevik, Cem; Çağın, Tahir; Garay, Andres; Turchi, P. E. A.; Arroyave, Raymundo (Elsevier Science BV, 2012)Scalar-relativistic density functional theory calculations are performed on three phases of Np within the framework of LSDA+U approach. Material properties examined include lattice parameters, atomic volumes, bulk modulus, ... -
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 ... -
Promising thermoelectric properties of phosphorenes
Sevik, Cem; Sevinçli, Haldun (IOP Publishing LTD, 2016)Electronic, phononic, and thermoelectric transport properties of single layer black-and blue-phosphorene structures are investigated with first-principles based ballistic electron and phonon transport calculations employing ... -
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 ... -
Strained band edge characteristics from hybrid density functional theory and empirical pseudopotentials: GaAs, GaSb, InAs and InSb
Cakan, Aslı; Sevik, Cem; Bulutay, Ceyhun (IOP Publishing LTD, 2016)The properties of a semiconductor are drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, ... -
Tailoring Storage Capacity and Ion Kinetics in Ti2CO2/Graphene Heterostructures by Functionalization of Graphene
Sevik, Cem; Çakır, Deniz (Amer Physical Soc, 2019)Using first-principles calculations, we evaluate the electrochemical performance of heterostructures made up of Ti2CO2 and chemically modified graphene for Li batteries. We find that heteroatom doping and molecule intercalation ... -
Tailoring Thermal Conductivity of Ge/Si Core-Shell Nanowires
Sarıkurt, Sevil; Sevik, Cem; Kınacı, Alper; Haskins, Justin B.; Çağın, Tahir (Wiley-Blackwell, 2015)Low-dimensional nanostructured materials show large variation in their thermal transport properties. Here, we investigate the influence of core-shell architecture on nanowire ( NW) thermal conductivity using molecular ... -
Tailoring thermal conductivity of silicon/germanium nanowires utilizing core-shell architecture
Sarıkurt, Sevil; Özden, A.; Kandemir, A.; Sevik, Cem; Kınacı, A.; Haskins, J. B.; Çağın, T. (Amer Inst Physics, 2016)Low-dimensional nanostructured materials show large variations in their thermal transport properties. In this work, we investigate the influence of the core-shell architecture on nanowire (1D) thermal conductivity and ... -
Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures
Kandemir, Ali; Özden, Ayberk; Çağın, Tahir; Sevik, Cem (Taylor & Francis LTD, 2017)Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these ... -
Thermal conductivity of BN-C nanostructures
Kınacı, Alper; Haskins, Justin B.; Sevik, Cem; Çağın, Tahir (Amer Physical Soc, 2012)Chemical and structural diversity present in hexagonal boron nitride (h-BN) and graphene hybrid nanostructures provide avenues for tuning various properties for their technological applications. In this paper we investigate ... -
Thermal Conductivity Suppression in Nanostructured Silicon and Germanium Nanowires
Özden, Ayberk; Kandemir, Ali; Ay, Feridun; Perkgöz, Nihan Kosku; Sevik, Cem (Springer, 2016)The inherent low lattice thermal conductivity (TC) of semiconductor nanowires (s-NW) due to one-dimensional phonon confinement might provide a solution for the long-lasting figure-of-merit problem for highly efficient ... -
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 ... -
Thermal transport properties of MoS2 and MoSe2 monolayers
Kandemir, Ali; Yapıcıoğlu, Haluk; Kınacı, Alper; Çağın, Tahir; Sevik, Cem (IOP Publishing LTD, 2016)The isolation of single- to few-layer transition metal dichalcogenides opens new directions in the application of two-dimensional materials to nanoelectronics. The characterization of thermal transport in these new ... -
Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties
Mobaraki, Arash; Kandemir, Ali; Yapıcıoğlu, Haluk; gülseren, Oğuz; Sevik, Cem (Elsevier Science BV, 2018)In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in ... -
Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation
Yorulmaz, Uğur; Özden, Ayberk; Perkgöz, Nihan Kosku; Ay, Feridun; Sevik, Cem (IOP Publishing LTD, 2016)MXenes, carbides, nitrides and carbonitrides of early transition metals are the new members of two dimensional materials family given with a formula of Mn+1 X-n. Recent advances in chemical exfoliation and CVD growth of ...