Authors: Tuncer, Dilan, Kızılkaya, Ali Can
Subject Terms: Cobalt, Iron, Bimetallic catalysts, Fischer-Tropsch synthesis, Carbon dioxide hydrogenation, Density functional theory
Relation: Catalysts; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.3390/catal13111390; https://hdl.handle.net/11147/14111; 13; 11; WOS:001107897100001; 2-s2.0-85177701527
Authors: Çelebi, Cem, Açıkgöz, Oğulcan, Guerrero, Enrique, Dağdeviren, Ömür E., Strubbe, David A., Baykara, Mehmet Z., Yanılmaz, Alper
Subject Terms: Chemical doping, Density functional theory, Molybdenum disulfide
Relation: Nanotechnology; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1088/1361-6528/ac9393; https://hdl.handle.net/11147/12587; WOS:000866216700001; 2-s2.0-85139804300; Q1
Authors: Sahin, H., Demirok, A. C., Yagmurcukardes, M.
Subject Terms: density functional theory, mechanical properties, vibrational properties, 2D materials
Relation: Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://hdl.handle.net/11147/14364; https://doi.org/10.1088/1361-648X/ad294d; 36; 21; WOS:001174182100001; 2-s2.0-85186126092
Authors: Kızılkaya, Ali Can, Dağa, Yağmur
Subject Terms: Cobalt, Density functional theory, Fischer–Tropsch synthesis, Sulfur
Relation: Catalysts; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.3390/catal12040425; https://hdl.handle.net/11147/12172; WOS:000786195700001; 2-s2.0-85127717770; Q2
Subject Terms: Density functional theory, Becke-Johnson model, Molecular dynamics, Surface wetting
Subject Geographic: 10.1016/j.apsusc.2019.144359
Relation: Applied Surface Science; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1016/j.apsusc.2019.144359; https://hdl.handle.net/11147/8873; 504; WOS:000502040600102; 2-s2.0-85075459998; Q1
Authors: Eren, İsmail, Sözen, Yiğit, Özen, Sercan, İyikanat, Fadıl, Özcan, Mehmet, Tekneci, Gülsüm Efsun, Şahin, Hasan
Subject Terms: Density functional theory, Perovskites, Thickness dependency, Electronic band structure, Phonons, Optical properties
Subject Geographic: 10.1016/j.cocom.2019.e00453
Relation: Computational Condensed Matter; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1016/j.cocom.2019.e00453; https://hdl.handle.net/11147/8805; 23; WOS:000533853800001; 2-s2.0-85078060376; Q2
Authors: Yağmurcukardeş, Mehmet, Akgenç Hanedar, Berna, Ersan, Fatih, Altalhi, Tariq, Yakobson, Boris
Subject Terms: 2D materials, Electronic properties, Piezoelectricity, Density functional theory, Black arsenic, Black phosphorus
Relation: Solid State Communications; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1016/j.ssc.2023.115175; https://hdl.handle.net/11147/13596; 368; WOS:000999887700001; 2-s2.0-85154558562; Q2
Subject Terms: Density functional theory, Langmuir adsorption isotherm, Quartz crystal microbalance, VOC adsorbents
Relation: Chemosphere; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1016/j.chemosphere.2022.137334; https://hdl.handle.net/11147/12666; WOS:000904130900009; 2-s2.0-85142726205; Q1
Authors: Åžahin, Hasan, Kandemir, Ali
Subject Terms: Density Functional Theory, Transition metal dichalcogenides, Janus WSSe, Janus single layers, Vibrational analysis
Subject Geographic: 10.1039/c8cp02802h
Relation: Physical Chemistry Chemical Physics; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://hdl.handle.net/11147/7519; https://doi.org/10.1039/c8cp02802h; 20; 25; WOS:000436571800051; 2-s2.0-85049155069; Q1
Authors: Sevim, Koray, Sevinçli, Haldun, Özdamar, Burak, Özbal, Gözde, Çınar, Mustafa Neşet, Kurt, Gizem, Kaya, Birnur
Subject Terms: Density Functional Theory, Graphene, Lattice dynamics, Hexagonal geometry, 2-dimensional systems
Subject Geographic: 10.1103/PhysRevB.98.045431
Relation: Physical Review B; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1103/PhysRevB.98.045431; https://hdl.handle.net/11147/7614; 98; WOS:000439974200007; 2-s2.0-85051422733; Q1
Subject Terms: Ferromagnetic, Antiferromagnetics, Monolayers, Magnetic anisotropy, Density Functional Theory
Subject Geographic: 10.1039/c7tc05266a
Relation: Journal of Materials Chemistry C; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1039/c7tc05266a; https://hdl.handle.net/11147/7517; WOS:000426483800015; 2-s2.0-85042594365; Q1
Authors: Sotthewes, Kai, Wu, Hairong, Thompson, Damien, Huskens, Jurriaan, Zandvliet, Harold J. W., Kap, Özlem
Subject Terms: Au(111), Density Functional Theory, Self assembled monolayers, Alkanethiols, Surface coverages
Subject Geographic: 10.1021/acs.jpcc.8b01389
Relation: Journal of Physical Chemistry C; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1021/acs.jpcc.8b01389; https://hdl.handle.net/11147/7564; 122; 15; WOS:000430896500044; 2-s2.0-85045673344; Q1
Subject Terms: Density functional theory, Doxorubicin, Molecular modeling, Purine nucleobases
Relation: Journal of Molecular Modeling; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1007/s00894-022-05031-z; https://hdl.handle.net/11147/12189; WOS:000761329900002; 2-s2.0-85125539045; Q3
Authors: Yağmurcukardeş, Nesli, Çapan, İnci, Erdoğan, Matem, Çapan, Rıfat, Tarhan, Özgür, Açıkbaş, Yaser, Yağmurcukardeş, Mehmet, İnce Yardımcı, Atike
Subject Terms: Chemical sensor, Density functional theory, Electrospinning, Polyacrilonitrile
Relation: Applied Physics A: Materials Science and Processing; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1007/s00339-022-05314-5; https://hdl.handle.net/11147/12190; WOS:000750840900001; 2-s2.0-85124380834; Q2
Authors: Şahin, Hasan, Molavali, Deniz, Özyurt, A. Kutay
Subject Terms: Aluminum oxide, Density functional theory, Graphene, Nanomagnetics
Relation: Computational Materials Science; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1016/j.commatsci.2022.111745; https://hdl.handle.net/11147/12761; WOS:000860431200007; 2-s2.0-85136530358; Q1
Subject Terms: Manganese compounds, Density functional theory, Electronic properties, Energy gap
Relation: Journal of Physical Chemistry C; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1021/acs.jpcc.2c07775; https://hdl.handle.net/11147/12754; WOS:000903297100001; 2-s2.0-85144419673; Q1
Subject Terms: Crystal structure, Density functional theory, Monolayer structures
Subject Geographic: 10.1016/j.apsusc.2017.03.039
Relation: Applied Surface Science; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; http://hdl.handle.net/11147/6455; http://doi.org/10.1016/j.apsusc.2017.03.039; 409; WOS:000400223900054; 2-s2.0-85015420949; Q1
Authors: Kandemir, Ali, İyikanat, Fadıl, Bacaksız, Cihan, Şahin, Hasan
Subject Terms: Coating material, Density functional theory, Oxidization, Silicene, Silver
Subject Geographic: 10.3762/bjnano.8.182
Relation: Beilstein Journal of Nanotechnology; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; http://doi.org/10.3762/bjnano.8.182; http://hdl.handle.net/11147/6679; WOS:000408666300001; 2-s2.0-85029003771; Q1
Subject Terms: Bethe-Salpeter equation, Density functional theory, Heterostructures, Monolayer
Subject Geographic: 10.1103/PhysRevB.95.075423
Relation: Physical Review B; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; http://doi.org/10.1103/PhysRevB.95.075423; http://hdl.handle.net/11147/6338; 95; WOS:000394658900011; 2-s2.0-85014526444; Q2; Q1
Authors: Akbalı, Barış, Yanılmaz, Alper, Tongay, Sefaattin, Çelebi, Cem, Tomak, Aysel, Şahin, Hasan
Subject Terms: Density functional theory, Chemical vapor deposition, Coating performance, Graphene, Liquid exfoliations, Nitrogen doping
Subject Geographic: 10.1088/1361-6528/aa825e
Relation: Nanotechnology; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; http://doi.org/10.1088/1361-6528/aa825e; http://hdl.handle.net/11147/6706; 28; 41; WOS:000410968100006; 2-s2.0-85029704170; Q1