Results 101 to 110 of about 3,475,040 (327)

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

Strength of hydrogen bond network takes crucial roles in the dissociation process of inhibitors from the HIV-1 protease binding pocket.

PLoS ONE, 2011
To understand the underlying mechanisms of significant differences in dissociation rate constant among different inhibitors for HIV-1 protease, we performed steered molecular dynamics (SMD) simulations to analyze the entire dissociation processes of ...
Dechang Li, Baohua Ji, Keh-Chih Hwang, Yonggang Huang   +3 more
doaj   +1 more source

The Dissociation Constants of Tetrahydrofolic Acid

Journal of Biological Chemistry, 1966
Six dissociable groups exist in tetrahydrofolic acid in the range H0 -3.0 to pH 14. The assignments in tetrahydrofolic acid by titrimetric and spectrophotometric comparisons with model compounds, p-aminobenzoylglutamic acid and 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-4-pteridinone, are as follows: acidic ionization of amide, pK' 10.5; N5, pK' 4.82; γ ...
R G, Kallen, W P, Jencks
openaire   +2 more sources

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

Multiscale Modeling and Simulation of Organic Solar Cells [PDF]

, 2012
In this article, we continue our mathematical study of organic solar cells (OSCs) and propose a two-scale (micro- and macro-scale) model of heterojunction OSCs with interface geometries characterized by an arbitrarily complex morphology.
Bagnis, Bank, Bank, Barker, Beverina, Blom, Braun, Buxton, Caironi, CampbellScott, Carlo de Falco, Casalegno, Coakley, Davis, de Falco, Gatti, Gill, Gunes, Horowitz, Hughes, Jerome, Kimber, Lazarov, Lee, Marsh, Martin, Matteo Porro, Maurizio Verri, Mayer, Mihailetchi, Mingebach, Mori, Morteani, Peumans, Pope, Quarteroni, Ray, Riccardo Sacco, Sharma, Tang, Williams, Xu   +41 more
core   +2 more sources

Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions

Advanced Functional Materials, EarlyView.
DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng, Qian Yao, Yanan Sun, Hongyu Lv, Zhongchao Bai, Guoliang Zhang, Nana Wang, Jian Yang   +7 more
wiley   +1 more source

Determination of the dissociation constants of some newly synthesized derivatives of 1,2,4-triazoline-3-thione in sodium hydroxide media

Macedonian Journal of Chemistry and Chemical Engineering, 2006
The behaviour of some newly synthesized derivatives of 1,2,4-triazoline-3-thione (4-butyl-5-octyl-2,4-dihydro-3H-1,2,4-triazoline-3-thione, 4-allyl-5-octyl-2,4-dihydro-3H-1,2,4-triazoline-3-thione, 4-phenyl-5-octyl-2,4- dihydro-3H-1,2,4-triazoline-3 ...
Mirjana Jankulovska, Ilinka Spirevska, Lidija Šoptrajanova   +2 more
doaj  

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

Measuring the sequence-affinity landscape of antibodies with massively parallel titration curves

eLife, 2016
Despite the central role that antibodies play in the adaptive immune system and in biotechnology, much remains unknown about the quantitative relationship between an antibody’s amino acid sequence and its antigen binding affinity.
Rhys M Adams, Thierry Mora, Aleksandra M Walczak, Justin B Kinney   +3 more
doaj   +1 more source