Works matching DE "ELECTRON affinity"

Results: 682

N‐Acylisoindigo Derivatives as Polymer Acceptors for "All‐Polymer" Bulk‐Heterojunction Solar Cells.

Published in:

Macromolecular Chemistry & Physics, 2019, v. 220, n. 13, p. N.PAG, doi. 10.1002/macp.201900029

By:

Cruciani, Federico;
Babics, Maxime;
Liu, Shengjian;
Carja, Daniela;
Mantione, Daniele;
Beaujuge, Pierre M.

Publication type:

Article

Non‐alternant Benzodifluoranthene Tetraimides from 7,8,9,10‐Fluoranthene Diimides: Synthesis, Structure, and Optical‐Limiting Properties.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 3, p. 1, doi. 10.1002/chem.202403332

By:

Qin, Hanwen;
Zhao, Lingli;
Zheng, Liping;
Ma, Zhipeng;
Liao, Miaoli;
Sun, Jibin;
Sun, Chenghua;
Chen, Huajie

Publication type:

Article

Front Cover: Covalently Linked 5,6,11,12‐Tetraazanaphthacene Dimer and Its Triptycene‐Capped Derivatives as Electron Acceptors (Chem. Eur. J. 50/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 50, p. 1, doi. 10.1002/chem.202485001

By:

Kamebuchi, Hajime;
Makino, Rintaro;
Hiruma, Koji;
Tomura, Kazumasa;
Tadokoro, Makoto

Publication type:

Article

Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202304223

By:

Sarkar, Subhendu;
Debnath, Tanay;
Das, Abhijit K.

Publication type:

Article

Organic Molecules Mimic Alkali Metals Enabling Spontaneous Harpoon Reactions with Halogens.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 20, p. 1, doi. 10.1002/chem.202400038

By:

Cao, Wenjin;
Wang, Xue‐Bin

Publication type:

Article

Sugar‐Bridged Fullerene Dumbbells and Their Interaction with the [10]Cycloparaphenylene Nanoring.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202301061

By:

Jakšić, Jovana;
Solymosi, Iris;
Hirsch, Andreas;
Pérez‐Ojeda, M. Eugenia;
Mitrović, Aleksandra;
Maslak, Veselin

Publication type:

Article

Non‐Fullerene Electron Acceptors Based on Hybridisation of Corannulene and Thiophene‐S,S‐Dioxide Motifs.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 18, p. 1, doi. 10.1002/chem.202203856

By:

Báti, Gábor;
Csókás, Dániel;
Giurgi, Gavril‐Ionel;
Zhou, Jingsong;
Szolga, Lorant A.;
Webster, Richard D.;
Stuparu, Mihaiela C.

Publication type:

Article

Fluorinated Dihydropentalene‐1,4‐Dione: A Strong Electron‐Accepting Unit with Organic Semiconductor Characteristics.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 17, p. 1, doi. 10.1002/chem.202203873

By:

Yokoyama, Soichi;
Ie, Yutaka

Publication type:

Article

Acceleration Effect of Bowl‐Shaped Structure in Aerobic Oxidation Reaction: Synthesis of Homosumanene ortho‐Quinone and Azaacene‐Fused Homosumanenes.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 10, p. 1, doi. 10.1002/chem.202203461

By:

Nishimoto, Mikey;
Uetake, Yuta;
Yakiyama, Yumi;
Saeki, Akinori;
Freudenberg, Jan;
Bunz, Uwe H. F.;
Sakurai, Hidehiro

Publication type:

Article

In‐Situ Hydrogen‐Bond Tailoring To Construct Ultrathin Bi2O2O/Bi2O2(OH)(NO3) Nanosheets: Interactive CO2RR Promotion and Bismuth‐Oxygen Moiety Preservation.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 66, p. 1, doi. 10.1002/chem.202201747

By:

Ma, Jinjin;
Yan, Jing;
Xu, Junjie;
Ni, Jiaqi;
Li, Ruiling;
Li, Li;
Lu, Lilin

Publication type:

Article

Chlorine‐Substituted N‐Heteroacene Analogues Acting as Organic Semiconductors for Solution‐Processed n‐type Organic Field‐Effect Transistors.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 39, p. 1, doi. 10.1002/chem.202201176

By:

Yang, Bo;
Wang, Zilong;
He, Tengfei;
Chen, Jinqiu;
Mu, Zifeng;
Ju, Zhengkun;
Lin, Menglu;
Long, Guankui;
Zhang, Jing;
Meng, Hong;
Huang, Wei

Publication type:

Article

Vibrational Spectroscopy of the Dehydrogenated Uracil Radical by Autodetachment of Dipole-Bound Excited States of Cold Anions.

Published in:

Angewandte Chemie, 2014, v. 126, n. 9, p. 2496, doi. 10.1002/ange.201310323

By:

Liu, Hong ‐ Tao;
Ning, Chuan ‐ Gang;
Huang, Dao ‐ Ling;
Wang, Lai ‐ Sheng

Publication type:

Article

Doping of Organic Semiconductors: Impact of Dopant Strength and Electronic Coupling.

Published in:

Angewandte Chemie, 2013, v. 125, n. 30, p. 7905, doi. 10.1002/ange.201302396

By:

Méndez, Henry;
Heimel, Georg;
Opitz, Andreas;
Sauer, Katrein;
Barkowski, Patrick;
Oehzelt, Martin;
Soeda, Junshi;
Okamoto, Toshihiro;
Takeya, Jun;
Arlin, Jean ‐ Baptiste;
Balandier, Jean ‐ Yves;
Geerts, Yves;
Koch, Norbert;
Salzmann, Ingo

Publication type:

Article

C20H4(C4F8)3: A Fluorine-Containing Annulated Corannulene that Is a Better Electron Acceptor Than C60.

Published in:

Angewandte Chemie, 2013, v. 125, n. 29, p. 7653, doi. 10.1002/ange.201300796

By:

Kuvychko, Igor V.;
Dubceac, Cristina;
Deng, Shihu H. M.;
Wang, Xue ‐ Bin;
Granovsky, Alexander A.;
Popov, Alexey A.;
Petrukhina, Marina A.;
Strauss, Steven H.;
Boltalina, Olga V.

Publication type:

Article

Band Alignment of 2D Transition Metal Dichalcogenide Heterojunctions.

Published in:

Advanced Functional Materials, 2017, v. 27, n. 19, p. n/a, doi. 10.1002/adfm.201603756

By:

Chiu, Ming‐Hui;
Tseng, Wei‐Hsuan;
Tang, Hao‐Ling;
Chang, Yung‐Huang;
Chen, Chang‐Hsiao;
Hsu, Wei‐Ting;
Chang, Wen‐Hao;
Wu, Chih‐I;
Li, Lain‐Jong

Publication type:

Article

Tuning the Charge Transfer in F x-TCNQ/Rubrene Single-Crystal Interfaces.

Published in:

Advanced Functional Materials, 2016, v. 26, n. 14, p. 2334, doi. 10.1002/adfm.201502082

By:

Krupskaya, Yulia;
Lezama, Ignacio Gutiérrez;
Morpurgo, Alberto F.

Publication type:

Article

Trap-Assisted Recombination via Integer Charge Transfer States in Organic Bulk Heterojunction Photovoltaics.

Published in:

Advanced Functional Materials, 2014, v. 24, n. 40, p. 6309, doi. 10.1002/adfm.201401513

By:

Bao, Qinye;
Sandberg, Oskar;
Dagnelund, Daniel;
Sandén, Simon;
Braun, Slawomir;
Aarnio, Harri;
Liu, Xianjie;
Chen, Weimin M.;
Österbacka, Ronald;
Fahlman, Mats

Publication type:

Article

Open-Circuit Voltage and Effective Gap of Organic Solar Cells.

Published in:

Advanced Functional Materials, 2014, v. 23, n. 46, p. 5814, doi. 10.1002/adfm.201301048

By:

Widmer, Johannes;
Tietze, Max;
Leo, Karl;
Riede, Moritz

Publication type:

Article

Diamond Surfaces with Air-Stable Negative Electron Affinity and Giant Electron Yield Enhancement.

Published in:

Advanced Functional Materials, 2014, v. 23, n. 45, p. 5608, doi. 10.1002/adfm.201301424

By:

O'Donnell, Kane M.;
Edmonds, Mark T.;
Ristein, Juergen;
Tadich, Anton;
Thomsen, Lars;
Wu, Qi‐Hui;
Pakes, Chris I.;
Ley, Lothar

Publication type:

Article

A study of temperature dependent current-voltage (I-V-T) characteristics in Ni/sol-gel β-Ga2O3/n-GaN structure.

Published in:

Journal of Materials Science: Materials in Electronics, 2018, v. 29, n. 13, p. 11265, doi. 10.1007/s10854-018-9213-y

By:

Gao, Jianyi;
Kaya, Ahmet;
Chopdekar, Rajesh V.;
Xu, Zheng;
Takamura, Yayoi;
Islam, M. Saif;
Chowdhury, Srabanti

Publication type:

Article

Changes induced by electrochemical oxidation of poly(9,9-dioctylfluorene- alt-thiophene): towards a correlation between charge transport, molecular structure modifications and degradation.

Published in:

Journal of Materials Science: Materials in Electronics, 2016, v. 27, n. 10, p. 10259, doi. 10.1007/s10854-016-5107-z

By:

Barbosa, Camila;
Bento, Danielly;
Péres, Laura;
Louarn, Guy;
Santana, Henrique

Publication type:

Article

Fabrication and characterization of poly(fullerene) thin films for gas sensors.

Published in:

Polymer International, 2025, v. 74, n. 2, p. 140, doi. 10.1002/pi.6698

By:

Simõis, André VS;
Borro, Marcelo S;
Medina, Maria ERS;
Riga, Luiz A;
Ferreira, Nyara D;
Silva, Pedro L;
Ramanitra, Hasina H;
Stephen, Meera;
Souza, Nara C;
Hiorns, Roger C;
Agostini, Deuber LS;
Olivati, Clarissa A

Publication type:

Article

Itaconic anhydride functionalized cyanoethyl cellulose with crosslinked structure enabled improved dielectric properties.

Published in:

Polymer International, 2024, v. 73, n. 12, p. 1022, doi. 10.1002/pi.6680

By:

Cheng, Sen;
Wang, Xinyu;
Yang, Rui;
Wang, Jiabao;
Lu, Chunhua;
Guo, Kai;
Zhu, Ning;
Hu, Xin

Publication type:

Article

Low-temperature plasma technique for skin structure consolidation.

Published in:

International Journal of Advanced Manufacturing Technology, 2021, v. 117, n. 7/8, p. 2387, doi. 10.1007/s00170-021-07041-2

By:

Martynov, Vladimir Vasilievich;
Brzhozovskii, Boris Maksovich;
Azikov, Nikolay Sergeevich;
Brovkova, Marina Borisovna;
Zinina, Elena Petrovna

Publication type:

Article

Theoretical prediction of the dehydration mechanism of 1, 3-butanediol as a potential biofuel surrogate.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2025, v. 144, n. 1, p. 1, doi. 10.1007/s00214-024-03154-5

By:

Abdel-Rahman, Mohamed A.;
Morse, Mohammed K.;
Zhao, Hao

Publication type:

Article

Quenching of reactive species by Avenanthramides: theoretical insight to the thermodynamics of electron transfer.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 4, p. 1, doi. 10.1007/s00214-024-03111-2

By:

Sumayya, P. C.;
Muraleedharan, K.

Publication type:

Article

Heavy atom effect through chalcogen substitution in Red Nile dye: a theoretical investigation.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 10, p. 1, doi. 10.1007/s00214-023-03050-4

By:

Alberto, Marta E.;
Prejanò, Mario;
Marino, Tiziana;
De Simone, Bruna C.;
Toscano, Marirosa;
Russo, Nino

Publication type:

Article

Insights into the spectral property and electronic structure of di-triphenylaniline-modified monothiophene, dithiophene and thienothiophene.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 9, p. 1, doi. 10.1007/s00214-023-03028-2

By:

Xing, Haowen;
Xue, Bo;
Zhu, Shengbo;
Su, Kehe

Publication type:

Article

Molecular properties of TCNQ and anions.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 6, p. 1, doi. 10.1007/s00214-023-02998-7

By:

Andersson, Kerstin

Publication type:

Article

First-principle investigation of structures and energy properties of (Pt3Cu)n, n = 10–11 nanoclusters.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 2, p. 1, doi. 10.1007/s00214-023-02963-4

By:

Galindo-Uribe, Carlos D.;
Calaminici, Patrizia;
Solorza-Feria, Omar

Publication type:

Article

(ZnO)42 nanocluster: a novel visibly active magic quantum dot under first principle investigation.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 2, p. 1, doi. 10.1007/s00214-023-02958-1

By:

Mehta, Bijal R.;
Shah, Esha V.;
Mondal Roy, Sutapa;
Roy, Debesh R.

Publication type:

Article

BO2 substituted novel alkyl biphenyl liquid crystalline series: dependence of geometrical and electronic properties on the alkyl chain length.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 2, p. 1, doi. 10.1007/s00214-023-02956-3

By:

Kumar, Abhishek;
Srivastava, Ambrish Kumar;
Sharma, Dipendra;
Tiwari, Surgiva Nath;
Misra, Neeraj

Publication type:

Article

Janus behavior of Au atoms interacting with fluorine.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 1, p. 1, doi. 10.1007/s00214-022-02946-x

By:

Banjade, Huta;
Shah, Aaron;
Jena, Puru

Publication type:

Article

Effect of donor and acceptor on optoelectronic properties of benzo[1,2-b:4,5-b′]dithiophene.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02855-5

By:

Fazl-Ur-Rahman, Kashifa;
Govindachar, Divya Maldepalli;
Periyasamy, Ganga

Publication type:

Article

Accurate atomic electron affinities calculated by using anionic Gaussian basis sets.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 8, p. N.PAG, doi. 10.1007/s00214-020-02629-5

By:

Costa-Amaral, Rafael;
Tello, Ana C. M.;
Comar, Moacyr;
da Silva, Albérico Borges Ferreira

Publication type:

Article

Theorems and rules connecting bond energy and bond order with electronegativity equalization and hardness maximization.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2569-0

By:

von Szentpály, László

Publication type:

Article

First-principles study of medium-scale X-atoms-doped nickel clusters Nin−1X (X = C, Si, Ge, Sn, Pb; n = 19–23).

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 2, p. 1, doi. 10.1007/s00214-019-2533-z

By:

Song, Wei;
Ma, Peng-fei;
Fu, Zhe;
Wang, Jin-long;
Zhang, Wei

Publication type:

Article

Insight into Corrosion Inhibition Efficiency of Imidazole-Based Molecules: A Quantum Chemical Study.

Published in:

Doklady Physical Chemistry, 2023, v. 511, n. 2, p. 125, doi. 10.1134/S0012501623600043

By:

Mamad, Dyari M.;
Rasul, Hazhar H.;
Awla, Awat H.;
Omer, Rebaz A.

Publication type:

Article

Mapping the optoelectronic property space of small aromatic molecules.

Published in:

Communications Chemistry, 2020, v. 3, n. 1, p. 1, doi. 10.1038/s42004-020-0256-7

By:

Wilbraham, Liam;
Smajli, Denisa;
Heath-Apostolopoulos, Isabelle;
Zwijnenburg, Martijn A.

Publication type:

Article

THE MATHEMATICAL MODEL OF ELECTRON AFFINITY (DRIVE) AND ELECTRODE POTENTIAN FUNCTIONAL CONNECTION.

Published in:

Reports of Enlarged Sessions of Seminar of I. Vekua Institute of Applied Mathematics, 2023, n. 7, p. 54

By:

Gobejishvili, Giorgi

Publication type:

Article

Design and numerical simulation of highly efficient mixed‐organic cation mixed‐metal cation perovskite solar cells.

Published in:

International Journal of Energy Research, 2022, v. 46, n. 11, p. 15654, doi. 10.1002/er.8260

By:

Alzahrani, Nada;
Kanoun, Mohammed Benali;
Kanoun, Ahmed‐Ali;
Goumri‐Said, Souraya

Publication type:

Article

Computational analysis of bandgap tuning, admittance and impedance spectroscopy measurements in lead‐free MASnI3 perovskite solar cell device.

Published in:

International Journal of Energy Research, 2022, v. 46, n. 8, p. 11456, doi. 10.1002/er.7942

By:

Kumar, Manish;
Raj, Abhishek;
Kumar, Arvind;
Anshul, Avneesh

Publication type:

Article

Investigating the theoretical performance of Cs2TiBr6‐based perovskite solar cell with La‐doped BaSnO3 and CuSbS2 as the charge transport layers.

Published in:

International Journal of Energy Research, 2022, v. 46, n. 5, p. 6045, doi. 10.1002/er.7546

By:

Shivesh, Kumar;
Alam, Intekhab;
Kushwaha, Arun Kumar;
Kumar, Manish;
Singh, Satya Vir

Publication type:

Article

Structural and electronic properties of Cs‐adsorbed GaN monolayer and bilayer based on first principles.

Published in:

International Journal of Energy Research, 2021, v. 45, n. 6, p. 9340, doi. 10.1002/er.6464

By:

Liu, Lei;
Tian, Jian;
Lu, Feifei

Publication type:

Article

Comparative study of negative electron affinity GaAs nanowire photocathodes with Cs/O and with Cs/NF3 from first‐principles.

Published in:

International Journal of Energy Research, 2019, v. 43, n. 13, p. 7477, doi. 10.1002/er.4780

By:

Diao, Yu;
Liu, Lei;
Xia, Sihao

Publication type:

Article

Evaluation of metallurgical behavior of oxygen and sulfur in base iron for ductile iron production based on thermal analysis.

Published in:

Metallic Materials / Kovové Materiály, 2019, v. 57, n. 5, p. 389, doi. 10.4149/km_2019_6_389

By:

Li, D.;
Xu, Z.;
Ma, X.;
Shi, D.;
Han, C.;
Wang, L.

Publication type:

Article

Structural, Spectroscopic, Mechanical, and Nonlinear Optical Properties of 4-Dimethylaminopyridinium Picrate Single Crystal for Optoelectronic Applications.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 4, p. 2312, doi. 10.1080/10406638.2023.2216832

By:

Sivaraj, G.;
Jayamani, N.;
Siva, V.;
Kannan, S.

Publication type:

Article

Design, Synthesis of Some Innovative Indolo[3,2-c]Isoquinoline-5-One Analogs and Associated Bioactivities, Pharmacophore, Molecular Docking, MEP, and Conceptual DFT Studies.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 9, p. 8408, doi. 10.1080/10406638.2022.2149573

By:

Verma, Vaijinath A.;
Shinde, Venkat M.;
Saundane, Anand R.;
Meti, Rajkumar S.;
Vennapu, Dushyanth R.

Publication type:

Article

Synthesis, Spectroscopic (FT-IR, 1H NMR, and UV-Vis) and Nonlinear Optical Properties of a Novel 3-(p-Cyanophenyl)-5-(o, m, p-Iodophenyl)-1-Phenylformazan: Experimental and DFT Studies.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 8, p. 7279, doi. 10.1080/10406638.2022.2133903

By:

Toy, Mehmet;
Vural, Hatice;
Şenöz, Hülya

Publication type:

Article

DFT, Molecular Docking and ADME Studies of Thiazolidinones as Tyrosinase Inhibitors.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 8, p. 6750, doi. 10.1080/10406638.2022.2124286

By:

Arshad, Raqeeba;
Khan, Muhammad Asim;
Mutahir, Sadaf;
Hussain, Sufyan;
Al-Hazmi, Ghaferah H.;
Refat, Moamen S.

Publication type:

Article