المؤلفون: Arefeh Esfandiari Nejad, Najme Nemati poor, Maryam Noorafshan

المصدر: فیزیک کاربردی ایران, Vol 14, Iss 1, Pp 135-151 (2024)

مصطلحات موضوعية: density functional theory, electronic properties, optical properties, znse nano-layer, zns nano-layer, Physics, QC1-999

وصف الملف: electronic resource

العلاقة: https://jap.alzahra.ac.ir/article_7371_b3bb2adf166952d5870d6a23cfee2908.pdfTest; https://doaj.org/toc/2783-1043Test; https://doaj.org/toc/2783-1051Test

الوصول الحر: https://doaj.org/article/053209634b1c4466ae4055a8988c9d6eTest

المؤلفون: Amina, Muhammad Uzair, Amir Sohail Khan, A.M. Quraishi, Albandary Almahri, Mukhlisa Soliyeva, Vineet Tirth, Ali Algahtani, Abdullah, Rawaa M. Mohammed, Mahidur R. Sarker, N.M.A. Hadia, Abid Zaman

المصدر: Results in Physics, Vol 62, Iss , Pp 107845- (2024)

مصطلحات موضوعية: Density Functional Theory, Pb-free Double perovskite, Opto-electronic properties, Elastic behaviors, Physics, QC1-999

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2211379724005308Test; https://doaj.org/toc/2211-3797Test

الوصول الحر: https://doaj.org/article/c8e9960155bc4739abffd80169ecbec3Test

المؤلفون: Nilius, Niklas, Goniakowski, Jacek, Noguera, Claudine

المساهمون: Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Oxydes en basses dimensions (INSP-E9), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0167-5729 ; Surface Science Reports ; https://hal.sorbonne-universite.fr/hal-04584815Test ; Surface Science Reports, 2024, 79 (1), pp.100622. ⟨10.1016/j.surfrep.2024.100622⟩.

مصطلحات موضوعية: copper oxide cuprous oxide surface oxidation termination reconstruction structure atomistic models adsorption electronic properties optical properties doping scanning tunneling microscopy density functional theory, copper oxide, cuprous oxide, surface, oxidation, termination, reconstruction, structure, atomistic models, adsorption, electronic properties, optical properties, doping, scanning tunneling microscopy, density functional theory, [PHYS]Physics [physics]

العلاقة: hal-04584815; https://hal.sorbonne-universite.fr/hal-04584815Test; https://hal.sorbonne-universite.fr/hal-04584815/documentTest; https://hal.sorbonne-universite.fr/hal-04584815/file/Final-revised.pdfTest

الإتاحة: https://doi.org/10.1016/j.surfrep.2024.100622Test
https://hal.sorbonne-universite.fr/hal-04584815Test
https://hal.sorbonne-universite.fr/hal-04584815/documentTest
https://hal.sorbonne-universite.fr/hal-04584815/file/Final-revised.pdfTest

المؤلفون: Celik, E., Guzel, M., Kart, S.O., Ak, M., Kart, H.H.

مصطلحات موضوعية: Carbazole, DFT, Donor-acceptor, Star-shaped monomers, Triazine, Electronic properties, Monomers, Polycyclic aromatic hydrocarbons, Spectroscopic analysis, Stars, Advanced materials, Carbazole units, Density-functional-theory, Donor/acceptor, Star-shaped, Star-shaped monomer, Structure-properties relationships, Theoretical study, Density functional theory

العلاقة: Journal of Molecular Structure; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1016/j.molstruc.2023.137198Test; https://hdl.handle.net/11499/56550Test; 1299; 2-s2.0-85178500779; WOS:001135423700001

الإتاحة: https://doi.org/10.1016/j.molstruc.2023.137198Test
https://hdl.handle.net/11499/56550Test

المؤلفون: Corona, Domenico, Buonocore, Francesco, Bechstedt, Friedhelm, Celino, Massimo, Pulci, Olivia

المساهمون: Costa, Carlos Miguel

مصطلحات موضوعية: article, ScholarlyArticle, ddc:530, B24N24, nanocapsules, density functional theory, time-dependent density functional theory, electronic properties, vibrational properties, magnesium batteries

وصف الملف: 15 Seiten

العلاقة: Nanomaterials -- 2079-4991 -- http://uri.gbv.de/document/gvk:ppn:718627199Test -- 2662255-5 -- http://www.mdpi.com/journal/nanomaterialsTest -- http://www.bibliothek.uni-regensburg.de/ezeit/?2662255Test; https://doi.org/10.3390/nano14030271Test; https://nbn-resolving.org/urn:nbn:de:gbv:27-dbt-60344-7Test; https://www.db-thueringen.de/receive/dbt_mods_00060344Test; https://www.db-thueringen.de/servlets/MCRZipServlet/dbt_derivate_00062940Test

الإتاحة: https://doi.org/10.3390/nano14030271Test
https://nbn-resolving.org/urn:nbn:de:gbv:27-dbt-60344-7Test
https://www.db-thueringen.de/receive/dbt_mods_00060344Test
https://www.db-thueringen.de/servlets/MCRZipServlet/dbt_derivate_00062940Test

المؤلفون: Pobitra Barman, Md. Ferdous Rahman, Md. Rasidul Islam, Mehedi Hasan, Mithun Chowdhury, M. Khalid Hossain, Jibon Krishna Modak, Safa Ezzine, Mongi Amami

المصدر: Heliyon, Vol 9, Iss 11, Pp e21675- (2023)

مصطلحات موضوعية: Density functional theory, First-principles calculation, Mechanical properties, Electronic properties, Band structure, Optical properties, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2405844023088837Test; https://doaj.org/toc/2405-8440Test

الوصول الحر: https://doaj.org/article/347a5ee3bf5c40f38eed6d92864b7f33Test

المؤلفون: Dr. Banat Gul, Md. Fayz‐Al‐Asad, Dr. Muhammad Salman Khan, Dr. Mostafizur Rahaman, Dr. Govindasami Periyasami, Dr. Hijaz Ahmad

المصدر: ChemElectroChem, Vol 10, Iss 22, Pp n/a-n/a (2023)

مصطلحات موضوعية: Density Functional Theory, Dichalcogenides, Electronic Properties, Elastic Properties, Optical Properties, Industrial electrochemistry, TP250-261, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/2196-0216Test

الوصول الحر: https://doaj.org/article/d71f39f4b7a34ba49b06bcccd8903946Test

المؤلفون: Qingyang Fan, Jie Wu, Yingbo Zhao, Yanxing Song, Sining Yun

المصدر: IUCrJ, Vol 10, Iss 4, Pp 464-474 (2023)

مصطلحات موضوعية: high-throughput calculations, silicon allotropes, monoclinic symmetry, electronic properties, photovoltaic applications, crystal structure prediction, properties of solids, crystal design, density functional theory, Crystallography, QD901-999

وصف الملف: electronic resource

العلاقة: http://scripts.iucr.org/cgi-bin/paper?S2052252523004207Test; https://doaj.org/toc/2052-2525Test

الوصول الحر: https://doaj.org/article/ff8f8e3bcb6848d4a069394dfb93cc9cTest

المؤلفون: Fekhra Hedhili, Hukam Khan, Furqan Ullah, Mohammad Sohail, Rajwali Khan, Omar H. Alsalmi, Hussein Alrobei, Khamael M. Abualnaja, Ghaida Alosaimi, Hissah Saedoon Albaqawi

المصدر: Molecules, Vol 29, Iss 5, p 961 (2024)

مصطلحات موضوعية: fluoride perovskite, density functional theory, electronic properties, structural properties, optic behaviors, Organic chemistry, QD241-441

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/1420-3049/29/5/961Test; https://doaj.org/toc/1420-3049Test

الوصول الحر: https://doaj.org/article/9f487d94bd154dbdbd493eacc419d583Test

المؤلفون: Franco, Leandro R., Marchiori, Cleber, Araujo, Moyses, 1975

المصدر: Journal of Chemical Physics. 159(20)

مصطلحات موضوعية: Binding energy, Density functional theory, Electronic properties, Excitons, Molecular orbitals, Redox reactions, fullerene, solvent, Electron-acceptor, Exciton-binding energy, Functionals, Fundamental gaps, Hybrid approach, Hybrid functionals, Optical-gap, Organic photovoltaics, Oxidation potentials, Reduction potential, article, controlled study, density functional theory, dielectric constant, electron, oxidation, oxidation reduction potential, Fullerenes, Physics, Fysik

وصف الملف: electronic

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:kau:diva-97689Test
https://doi.org/10.1063/5.0163180Test
https://kau.diva-portal.org/smash/get/diva2:1818362/FULLTEXT01.pdfTest