Results 71 to 80 of about 53,220 (229)

Charge Transport in Ternary Charge‐Transfer Solid Solution Single Crystals

Advanced Functional Materials, EarlyView.
This study deconvolutes the roles of indirect (superexchange) and direct electronic coupling on charge transport in single crystals of an organic charge‐transfer molecular semiconductor (OSC). This model system elegantly demonstrates that structural defects introduced by chemical dopants play a significant role in the electronic performance ...
Jonathan C. Novak, Manikanta Makala, Edith L. MacKenzie, Veaceslav Coropceanu, Kimberly Agosto, Abigail A. Moravek, Oana D. Jurchescu, Ren A. Wiscons   +7 more
wiley   +1 more source

Intrabandgap States Engineering in Functionalized Nanodiamond to Generate Solvated Electrons for Photocatalysis Under Solar Illumination

Advanced Functional Materials, EarlyView.
The negative electron affinity of diamond allows to emit highly reductive electrons. By introducing intra‐bandgap states and an optimized electron transfer mechanism by surface functionalization with Ru(bpy)3, the formation of solvated electrons is achieved upon solar irradiation.
Benjamin Kiendl, Arsène Chemin, Adam H. Day, Rocio B. Rodriguez, Sneha Choudhury, Franziska Buchner, Kaan Atak, Christoph Merschjann, Emina Hadzifejzovic, Tim D. W. Claridge, Karin Larsson, Amélie Venerosy, Mailis M. Lounasvuori, Natalia Zabarska, Boyan Iliev, Thomas J. S. Schubert, Hugues A. Girard, Jean‐Charles Arnault, John S. Foord, Tristan Petit, Anke Krueger   +20 more
wiley   +1 more source

Temperature Effect of the Theobromine’s Electronic and Antioxidant Properties

International Journal of Secondary Metabolite, 2019
Theobromine exists in cocoa, which has an antioxidant ingredient. It is also affect our nervous system. For this reason, it’s very important to know the properties of the theobromine.
Aslı Öztürk Kiraz
doaj   +1 more source

Zwitterionic Self‐Assembled Monolayer for Simultaneous Noise Suppression and Hole Extraction in High‐Performance Near‐Infrared Organic Photodetectors

Advanced Functional Materials, EarlyView.
This study presents a new hole transporting material (HTM) mechanism for self‐assembled monolayers in near‐infrared organic photodetectors. The formation of zwitterions induces a strong electric field that significantly increases the work function of HTM‐coated indium tin oxide substrates. The devices exhibit low dark current and noise, along with high
Jiyoung Shin, Gyeong Min Lee, Juyeon Shin, Jaewoong Kim, Tae Hyuk Kim, Do Yeon Kim, Myeong In Kim, Kyeounghak Kim, Jae Won Shim, In Hwan Jung   +9 more
wiley   +1 more source

Kinetic Study of Reactions between Nitrile Oxides with Simple Cycloalkynes with DFT Method [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2019
In this study, reactions of the simple cycloalkynes with substituted Nitrile Oxides, by DFT method will be discussed. The investigation of the structural properties, theoretical thermodynamic and kinetic data, i.e., the activation free energies(DG*), the
Elahe Rajaeian
doaj  

Coupling to haloform molecules in intercalated C60?

, 2002
For field-effect-doped fullerenes it was reported that the superconducting transition temperature Tc is markedly larger for C60.2CHX_3 (X=Cl, Br) crystals, than for pure C60.
A. Bill, A. Bill, A.A. Quong, B. Burk, D. Porezag, D. Rainer, E. Koch, Erik Koch, F.C. Zhang, J.P. Perdew, K. Jackson, M. Lannoo, M. Schlüter, M.R. Pederson, M.R. Pederson, Olle Gunnarsson, R.E. Dinnebier   +16 more
core   +1 more source

Enhancing Synaptic Plasticity and Multistate Retention of Organic Neuromorphic Devices Using Anion‐Excessive Gel Electrolyte

Advanced Functional Materials, EarlyView.
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won, Jeongwoo Lee, Hyunwook Kim, Joon Hak Oh   +3 more
wiley   +1 more source

Ring and Linear Structures of CdTe Clusters

Quantum Reports
We report the results of an ab initio study of the linear and ring structures of cadmium telluride clusters [CdTe]n (CdnTen) n ≤ 10 within the generalized gradient approximation (GGA) and Purdue–Burke–Ernzerhof (PBE) parameterization with Hubbard ...
Andrii Kashuba, Ihor Semkiv, Myron Rudysh, Hryhorii Ilchuk, Pavlo Shchepanskyi   +4 more
doaj   +1 more source

Time-dependent density functional study of the electronic spectra of oligoacenes in the charge states -1, 0, +1, and +2

, 2007
We present a systematic theoretical study of the five smallest oligoacenes (naphthalene, anthracene, tetracene, pentacene, and hexacene) in their anionic,neutral, cationic, and dicationic charge states.
Andrews, Andrews, Anthony, Aziz, Baerends, Bally, Bauernschmitt, Bauschlicher, Bauschlicher, Becke, Becke, Bendikov, Bendikov, Bergman, Berlman, Biennier, Biennier, Boschi, Bree, Bréchignac, Bréchignac, Burke, Burrow, C. Joblin, Cai, Casida, Casida, Casida, Castro, Cave, Ceperley, Chillier, Chillier, Cioslowski, Clar, Clar, Clemett, Cockett, Crocker, Curl, De Frees, Deleuze, Deleuze, Deng, Dessent, Dierksen, Dierksen, Dreizler, Dreuw, Dreuw, G. Cappellini, G. Malloci, G. Mulas, Gauss, George, Godby, Grimme, Gruhn, Gudipati, Görling, Hager, Hahn, Halasinski, Halasinski, Handy, Hartmann, Hartmann, Harvey, Hashimoto, Hedin, Heinecke, Heinze, Hirata, Hirata, Hirata, Hirata, Hohenberg, Houk, Hubner, Hummer, Hummer, Hummer, Hybertsen, Joblin, Joblin, Joblin, Jochims, Jochims, Jolibois, Jones, Kadantsev, Kan, Kato, Kato, Kato, Kato, Kato, Kawashima, Keller, Kelsall, Khakoo, Klauk, Klevens, Koch, Koch, Koch, Koch, Kohn, Krasnokutski, Lambert, Langhoff, Leach, Leach, Lee, Ling, Lopez, Lyons, Maitra, Malloci, Malloci, Malloci, Malloci, Marques, Marques, Marques, Marques, Martin, Mason, Modelli, Mulas, Mulas, Mulas, Negri, Nelson, Nemeth, Nguyen, Niederalt, Niehaus, Notario, Ossler, Ossler, Parac, Peck, Perdew, Pickett, Pino, Pino, Platt, Pope, Rehwagen, Reylé, Rienstra-Kiracofe, Romanini, Rouillé, Runge, Sackmann, Salama, Salama, Sarre, Schiedt, Schiedt, Schmidt, Schröder, Senadeera, Shida, Shida, Shiyanovkaya, Sobolewski, Staicu, Steiner, Sukhorukov, Szczepanski, Szczepanski, Tan, Tan, Tielens, Tobita, Tozer, Tozer, Troullier, Weisman, Weisman, Wiberg, Wiberg, Winkler, Witt, Yabana, Yoo   +187 more
core   +1 more source

Suppression of Photo‐Mediated Traps in Integrated Organic Photovoltaic–Photodetector Devices via N‐Type Self‐Assembly‐Driven Interfacial Engineering

Advanced Functional Materials, EarlyView.
Conventional unstable electron transport layers (ETLs) limit self‐powered organic sensors. This work resolves this by developing a n‐type self‐assembled monolayer (SAM), “3‐PAPh”. This SAM forms a chemically stable and structurally ordered interface that fundamentally suppresses defect formation.
Ohhyun Kwon, Jae Hoon Son, Tae Hyuk Kim, Gyeong Min Lee, Seunghyun Oh, Gayoung Ham, Min Jong Lee, Sang Heon Lee, Seon Joong Kim, Hyojung Cha, Han Young Woo, Jae Won Shim   +11 more
wiley   +1 more source