المؤلفون: Stippell, Elizabeth, Li, Wei, Quarti, Claudio, Beljonne, David, Prezhdo, Oleg V

المساهمون: Chemistry of Novel Materials, Research Institute for Materials Science and Engineering

المصدر: ACS Applied Materials and Interfaces, 17 (1), 2032 - 2040 (2025-01-08)

مصطلحات موضوعية: Marcus theory, charge transport, electron-vibrational interactions, metal halide perovskites, optoelectronics, reorganization energy, solar energy, two-dimensional, Energy, Fluorine substitution, Halide perovskites, Metal halide perovskite, Reorganization energies, Solar energy applications, Structural stabilization, Materials Science (all), Physical, chemical, mathematical & earth Sciences, Chemistry, Physique, chimie, mathématiques & sciences de la terre

Relation: urn:issn:1944-8244; urn:issn:1944-8252; https://orbi.umons.ac.be/handle/20.500.12907/51699; info:hdl:20.500.12907/51699; info:pmid:39679876

الاتاحة: https://orbi.umons.ac.be/handle/20.500.12907/51699
https://hdl.handle.net/20.500.12907/51699
https://orbi.umons.ac.be/bitstream/20.500.12907/51699/1/stippell-2DHP_interlayer_fluorination-ACSapplmaterint2025.pdf
https://doi.org/10.1021/acsami.4c17876

المؤلفون: Rinki Deka, Dhruba Jyoti Kalita

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Developmental Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, type conjugated systems, organic solar cells, organic electronics owing, maximum bathochromic shift, m1 – m7, charge transfer rate, attracted substantial interest, electron transport process, highest absorption maxima, based photovoltaic materials, designed seven new, – π –, efficient electron transfer, dft study shows, compound m2 possesses, study reveals, absorption properties, electron donor, thoroughly examining, theoretical pce, reorganization energies, primary focus, photovoltaic performance

Relation: https://figshare.com/articles/journal_contribution/Boosting_the_Performance_of_Diketopyrrolopyrrole-Triphenylamine-Based_Organic_Solar_Cells_via_Linker_Engineering/25318417

الاتاحة: https://doi.org/10.1021/acs.jpca.3c06439.s001
https://figshare.com/articles/journal_contribution/Boosting_the_Performance_of_Diketopyrrolopyrrole-Triphenylamine-Based_Organic_Solar_Cells_via_Linker_Engineering/25318417

المؤلفون: Muhammad Khalid, Muhammad Sagir, Muhammad Zahid, Sara Figueirêdo de Alcântara Morais, Muhammad Saqib, Sami Ullah, Khurram Shahzad Munawar, Ataualpa A. C. Braga, Mohammed Ali Assiri

مصطلحات موضوعية: Biophysics, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, mentioned results indicate, lower reorganization energies, 37 – 778, enhancing photovoltaic performance, efficient photovoltaic materials, efficacy photovoltaic devices, terminal acceptors minimized, benzothiophene acceptors improves, structural tailoring via, modified chromophores displayed, relatively higher open, eb ), open, circuit voltage (<, better optoelectronic response, acceptor , 1 , photovoltaic response, circuit voltage, various acceptors, v <, nonfullerene chromophores, higher rate, dos ), c <

Relation: https://figshare.com/articles/journal_contribution/Theoretical_Expedition_for_Enhancing_Photovoltaic_Performance_DFT_Investigation_of_Benzo_i_c_i_1_2_5_thiadiazole-Based_Scaffolds_for_Organic_Solar_Cells/25126626

الاتاحة: https://doi.org/10.1021/acs.iecr.3c04133.s001
https://figshare.com/articles/journal_contribution/Theoretical_Expedition_for_Enhancing_Photovoltaic_Performance_DFT_Investigation_of_Benzo_i_c_i_1_2_5_thiadiazole-Based_Scaffolds_for_Organic_Solar_Cells/25126626

المؤلفون: Armaković, Stevan, Armaković, Sanja J., Pelemiš, Svetlana, Škipina, Blanka, Hut, Igor

المصدر: Contemporary materials

مصطلحات موضوعية: transportna svojstva, TADF, optoelektronika, NEGF, energije reorganizacije, DFT, aceni, transport properties, reorganization energies, optoelectronics, Acenes

Relation: info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171039/RS//; info:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/34019/RS//; https://machinery.mas.bg.ac.rs/handle/123456789/2270; http://machinery.mas.bg.ac.rs/bitstream/id/1024/2267.pdf

الاتاحة: https://machinery.mas.bg.ac.rs/handle/123456789/2270
https://doi.org/10.7251/COMEN1601037A
http://machinery.mas.bg.ac.rs/bitstream/id/1024/2267.pdf

المؤلفون: Mori, Sakura, Moles Quintero, Sergio, Tabaka, Naoki, Kishi, Ryohei, González Núñez, Raúl, Harbuzaru, Alexandra, Ponce Ortiz, Rocío, Marín-Beloqui, Jose, Suzuki, Shuichi, Kitamura, Chitoshi, Gómez-García, Carlos J, Dai, Yasi, Negri, Fabrizia, Nakano, Masayoshi, Kato, Shin-Ichiro, Casado, Juan

المساهمون: Mori, Sakura, Moles Quintero, Sergio, Tabaka, Naoki, Kishi, Ryohei, González Núñez, Raúl, Harbuzaru, Alexandra, Ponce Ortiz, Rocío, Marín-Beloqui, Jose, Suzuki, Shuichi, Kitamura, Chitoshi, Gómez-García, Carlos J, Dai, Yasi, Negri, Fabrizia, Nakano, Masayoshi, Kato, Shin-Ichiro, Casado, Juan

مصطلحات موضوعية: Ambipolar, Diradical Character, Electronic Coupling, Organic Field Effect Transistor, Reorganization Energies

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/35696258; info:eu-repo/semantics/altIdentifier/wos/WOS:000820402700001; volume:61; issue:33; firstpage:1; lastpage:8; numberofpages:8; journal:ANGEWANDTE CHEMIE. INTERNATIONAL EDITION; https://hdl.handle.net/11585/895447; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85133513036

الاتاحة: https://hdl.handle.net/11585/895447
https://doi.org/10.1002/anie.202206680
https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202206680

المؤلفون: Gabriel Marques (8997402), Karl Leswing (7299341), Tim Robertson (335886), David Giesen (11224679), Mathew D. Halls (1526098), Alexander Goldberg (254010), Kyle Marshall (6401300), Joshua Staker (6401297), Tsuguo Morisato (2196910), Hiroyuki Maeshima (11224682), Hideyuki Arai (9419257), Masaru Sasago (2685826), Eiji Fujii (1949929), Nobuyuki N. Matsuzawa (9419251)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Physiology, Pharmacology, Biotechnology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, utility function, extrapolative materials design protocol, heteroacene family, training dataset, design methods, DFT-calculated hole reorganization ., Low Hole Reorganization Energy, ML, hole mobility, generative modeling, semiconducting materials, chemical structures, generative methods, hole reorganization energies, REINVENT, QSPR, SMILES strings, De Novo Design, space method

Relation: https://figshare.com/articles/journal_contribution/_i_De_Novo_i_Design_of_Molecules_with_Low_Hole_Reorganization_Energy_Based_on_a_Quarter-Million_Molecule_DFT_Screen/15097931

الاتاحة: https://doi.org/10.1021/acs.jpca.1c04587.s001

المؤلفون: Urwah Azeem (11586451), Rasheed Ahmad Khera (5917540), Ayesha Naveed (11586454), Muhammad Imran (282621), Mohammed A. Assiri (5412098), Muhammad Khalid (284417), Javed Iqbal (2121922)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Pharmacology, Biotechnology, Cancer, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, smallest band gap, power conversion efficiency, organic solar cells, frontier molecular orbitals, exciton binding energies, b3lyp functional accompanied, highest hole mobility, highest electron mobility, reorganization energies ), 61 , sbdt4 , sbdt3 , sbdt1 , bdd , recently synthesized molecule, produce free charge, lowest binding energy, sub >–, sub >+, highest absorption maxima

Relation: https://figshare.com/articles/journal_contribution/Tuning_of_a_A_A_D_A_A-Type_Small_Molecule_with_Benzodithiophene_as_a_Central_Core_with_Efficient_Photovoltaic_Properties_for_Organic_Solar_Cells/16838035

الاتاحة: https://doi.org/10.1021/acsomega.1c03975.s001

المؤلفون: Dipti Jasrasaria (9173183), Eran Rabani (1304007)

مصطلحات موضوعية: Biophysics, Medicine, Sociology, Infectious Diseases, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, finding good agreement, experimentally relevant sizes, exciton formation distorts, computational complexity associated, accurately describing excitons, interior modes dominate, frequency acoustic modes, nc surface play, interior modes, phonon frequency, nc surface, nc size, phonon modes, still lacking, small number, semiconductor nanocrystals, reorganization energies, particularly regarding, optoelectronic properties, microscopic picture, larger systems, experimental measurements

Relation: https://figshare.com/articles/journal_contribution/Interplay_of_Surface_and_Interior_Modes_in_Exciton_Phonon_Coupling_at_the_Nanoscale/16743849

الاتاحة: https://doi.org/10.1021/acs.nanolett.1c02953.s005

المؤلفون: Xianfu Zhang (8038286), Xuepeng Liu (4350340), Rahim Ghadari (2370469), Maohui Li (10270106), Zi’an Zhou (8366574), Yong Ding (108968), Molang Cai (7304948), Songyuan Dai (1437457)

مصطلحات موضوعية: Physiology, Biotechnology, Ecology, Plant Biology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, non-fused ones, para-position-based ones, tetraphenylethylene HTMs display, tetraphenylethylene core display, arylamine side arms, side arms, reorganization energies, tetraphenylethylene molecules show, Perovskite Solar Cells, power conversion efficiency, Fused tetraphenylethylene HTMs, non-fused tetraphenylethylene core

Relation: https://figshare.com/articles/journal_contribution/Tetraphenylethylene-Arylamine_Derivatives_as_Hole_Transporting_Materials_for_Perovskite_Solar_Cells/14179178

الاتاحة: https://doi.org/10.1021/acsami.1c01606.s001

المؤلفون: ELİK, Mustafa

المصدر: Volume: 44, Issue: 2 296-301 ; 2587-2680 ; 2587-246X ; Cumhuriyet Science Journal

مصطلحات موضوعية: Compounds with rich π-electrons, Reorganization energies, Marcus theory, Charge transfer rate, compounds with rich π-electrons, reorganization energies, charge transfer rate., Physical Organic Chemistry, Fiziksel Organik Kimya

وصف الملف: application/pdf

Relation: https://dergipark.org.tr/tr/download/article-file/2959774; https://dergipark.org.tr/tr/pub/csj/issue/78187/1252908

الاتاحة: https://dergipark.org.tr/tr/pub/csj/issue/78187/1252908
https://doi.org/10.17776/csj.1252908

المؤلفون: Jacob Terence Blaskovits (9732035), Kun-Han Lin (9999783), Raimon Fabregat (9241790), Iwona Swiderska (9999778), Hélène Wu (9999787), Clemence Corminboeuf (5752643)

مصطلحات موضوعية: Computational Chemistry and Modeling, Theory - Computational, Charge Transport, reorganization energies, Replica Exchange Molecular Dynamics Simulation, Amorphous Materials, triphenylamine

Relation: https://figshare.com/articles/preprint/Is_a_Single_Conformer_Sufficient_to_Describe_the_Reorganization_Energy_of_Amorphous_Organic_Transport_Materials_/13604057

الاتاحة: https://doi.org/10.26434/chemrxiv.13604057.v1

المؤلفون: Dongpeng Zhao, Qiuchen Lu, Runzhou Su, Yuanzuo Li, Meiyu Zhao

المصدر: Applied Sciences; Volume 9; Issue 12; Pages: 2567

مصطلحات موضوعية: dye-sensitized solar cell, photoelectrical properties, density functional theory, reorganization energies

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Materials Science and Engineering; https://dx.doi.org/10.3390/app9122567

الاتاحة: https://doi.org/10.3390/app9122567

المؤلفون: Atahan Evrenk, Şule

مصطلحات موضوعية: Semiconducting organic compounds, Charge transfer, Reorganization energies

Relation: Turkish Journal of Chemistry; Makale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı; https://hdl.handle.net/20.500.11851/813; https://search.trdizin.gov.tr/yayin/detay/374386; 42; 869; 882; WOS:000433980300021; Q3

الاتاحة: https://hdl.handle.net/20.500.11851/813
http://journals.tubitak.gov.tr/chem/issues/kim-18-42-3/kim-42-3-21-1711-21.pdf
https://search.trdizin.gov.tr/yayin/detay/374386

المؤلفون: Atahan Evrenk, Şule

مصطلحات موضوعية: Semiconducting organic compounds, Charge transfer, Reorganization energies

Relation: RSC Advances; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://hdl.handle.net/20.500.11851/811; https://pubs.rsc.org/en/Content/ArticleLanding/2018/RA/C8RA07866A#!divAbstract; 70; 40330; 40337; WOS:000452778800049; Q1

الاتاحة: https://hdl.handle.net/20.500.11851/811
https://pubs.rsc.org/en/Content/ArticleLanding/2018/RA/C8RA07866A#!divAbstract

المؤلفون: Armaković, Stevan, Armaković, Sanja J., Pelemiš, Svetlana S., Škipina, Blanka, Hut, Igor

المصدر: CONTEMPORARY MATERIALS; Свеска 7, Бр. 1 (2016): Contemporary Materials VII-1; 37-44 ; 1986-8677

مصطلحات موضوعية: Acenes, DFT, optoelectronics, reorganization energies, TADF, NEGF, transport properties

وصف الملف: application/pdf

Relation: http://doisrpska.nub.rs/index.php/conterporarymaterials3-1/article/view/4199/4022; http://doisrpska.nub.rs/index.php/conterporarymaterials3-1/article/view/4199

الاتاحة: http://doisrpska.nub.rs/index.php/conterporarymaterials3-1/article/view/4199
https://doi.org/10.7251/cm.v1i7.4199

المؤلفون: Babu, N. S., Riwa, I. O.

مصطلحات موضوعية: Benzene derivatives, Hole transport materials, Perovskite solar cells, DFT method, TD-DFT method, Photoelectric properties, Reorganization energies

Relation: Babu, N. S., & Riwa, I. O. (2022). DFT and TD-DFT studies of 1, 3, 5-Tris (dipheny1amino) benzene derivatives based hole transport materials: application for perovskite solar cells. Optical and Quantum Electronics, 54(6), 389.; URL: https://link.springer.com/article/10.1007/s11082-022-03776-8; http://hdl.handle.net/20.500.12661/3830

الاتاحة: https://hdl.handle.net/20.500.12661/3830
https://doi.org/10.1007/s11082-022-03776-8

المؤلفون: Guo, Y., He, Lanlan, Guo, J., Zhang, Fuguo, Wang, L., Yang, Hao, Xiao, C., Liu, Y., Chen, Y., Yao, Z., Sun, Licheng, 1962

المصدر: Angewandte Chemie International Edition. 61(6)

مصطلحات موضوعية: Charge transfer, Hole mobility, Locks (fasteners), Perovskite, Polymer solar cells, Dopant-free, Dopant-free hole-transport polymer, Free holes, Hole transport materials, Hole transport polymers, Noncovalent, Noncovalent conformational locking, Phenanthrocarbazole, Polymer chains, Reorganization energies, Perovskite solar cells

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-313621

المؤلفون: Sule Atahan-Evrenk

المساهمون: TOBB ETÜ, Tıp Fakültesi, Temel Tıp Bilimleri Bölümü, TOBB ETU, Faculty of medicine, Department of Basic Medical Sciences, Atahan Evrenk, Şule

المصدر: RSC Advances. 8:40330-40337

مصطلحات موضوعية: Materials science, General Chemical Engineering, Computation, Scale (descriptive set theory), Charge (physics), 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Characterization (materials science), Organic semiconductor, Charge transfer, Reorganization energies, Chemical physics, Intramolecular force, Molecule, Semiconducting organic compounds, 0210 nano-technology, Representation (mathematics)

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba969a11aa7a23c50ceca0244ff4f96f
https://doi.org/10.1039/c8ra07866a

المؤلفون: Shoute, Lian C. T., Loppnow, Glen R.

مصطلحات موضوعية: Intensity Analysis, Thin-Films, Photoinduced Electron-Transfer, Interfacial Charge-Transfer, Reorganization Energies, Nanocrystalline Tio2, Solid-Gas Interfaces, Para-Nitrosodimethylaniline, Surface-Derivatized Tio2, Colloidal Titanium-Dioxide

Relation: https://era.library.ualberta.ca/items/cca55d43-75d7-430a-ae56-c54d0e4130a3

الاتاحة: https://era.library.ualberta.ca/items/cca55d43-75d7-430a-ae56-c54d0e4130a3
https://doi.org/10.7939/r3-cz3h-w540

المؤلفون: A. Mabrouk, M. Chemek, Kamel Alimi, I. Ben Khalifa, A. Hlel

المصدر: Computational Condensed Matter. 3:30-40

مصطلحات موضوعية: Materials science, Carbazole, OLEDs, Materials Science (miscellaneous), Doped state, Time-dependent density functional theory, Electron, Condensed Matter Physics, Photochemistry, DFT, Molecular physics, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, Reorganization energies, chemistry, Ionization, Materials Chemistry, OLED, Molecular orbital, Density functional theory, Excitation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7188a413b5920f24345133fc2809edc4