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Browsing by Author "Kandemir, Ali"
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Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene
İyikanat, Fadıl; Kandemir, Ali; Bacaksız, Cihan; Şahin, Hasan (Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2017-08)Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found ... -
Hydrogenation-driven phase transition in single-layer TiSe2
İyikanat, Fadıl; Kandemir, Ali; Özaydın, H. Duygu; Senger, Ramazan Tuğrul; Şahin, Hasan (IOP Publishing, 2017-11)First-principles calculations based on density-functional theory are used to investigate the effects of hydrogenation on the structural, vibrational, thermal and electronic properties of the charge density wave (CDW) phase ... -
Increasing solubility of metal silicates by mixed polymeric antiscalants
Topcu, Gokhan; Celik, Asli; Kandemir, Ali; Baba, Alper; Sahin, Hasan; Demir, Mustafa M. (Pergamon-Elsevier Science Ltd, 2019)The increase of silicate solubility is a big challenge for both hot and cold water because it reduces the deposition of metal silicates frequently observed in such systems and causes operational obstacles. The deposition ... -
Stability, electronic and phononic properties of β and 1T structures of SiTex (x = 1, 2) and their vertical heterostructures
Kandemir, Ali; İyikanat, Fadıl; Şahin, Hasan (IOP Publishing, 2017-08)By performing first-principles calculations, we predict a novel, stable single layer phase of silicon ditelluride, 1T-SiTe2, and its possible vertical heterostructures with single layer β-SiTe. Structural optimization and ... -
Structural, electronic and phononic properties of PtSe2: From monolayer to bulk
Kandemir, Ali; Akbalı, Barış; Kahraman, Z.; Badalov, S. V.; Özcan, Mehmet; İyikanat, Fadıl; Şahin, Hasan (Institute of Physics Publishing, 2018-06)The layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings ... -
Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures
Kandemir, Ali; Özden, Ayberk; Çağın, Tahir; Sevik, Cem (Taylor & Francis, 2017-01)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 transport properties of MoS2 and MoSe2 monolayers
Kandemir, Ali; Yapıcıoğlu, Haluk; Kınacı, Alper; Çalın, Tahir; Sevik, Cem (Institute of Physics Publishing, 2016-01-11)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; Yapicioglu, Haluk; Gulseren, Oguz; 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 ... -
α-Silicene as oxidation-resistant ultra-thin coating material
Kandemir, Ali; İyikanat, Fadıl; Bacaksız, Cihan; Şahin, Hasan (Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2017)By performing density functional theory (DFT)-based calculations, the performance of a-silicene as oxidation-resistant coating on Ag(111) surface is investigated. First of all, it is shown that the Ag(111) surface is quite ...
