Results 71 to 80 of about 149,392 (288)

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

Negative orbital (au) of the HOMO (-E_HOMO) and LUMO energies (-E_LUMO), HOMO–LUMO band gap energies that were calculated by PCM//DFT-DFT/B3LYP/6-31+G(d,p) using the PCM model (solvent–DMSO) and the theoretical excited energies (E_g) for dyes.

, 2015
Negative orbital (au) of the HOMO (-EHOMO) and LUMO energies (-ELUMO), HOMO–LUMO band gap energies that were calculated by PCM//DFT-DFT/B3LYP/6-31+G(d,p) using the PCM model (solvent–DMSO) and the theoretical excited energies (Eg) for dyes.
Wioleta Cieslik (761402), Marzena Rams-Baron (761399), Alicja Ratuszna (645767), Robert Musiol (645764), Ewelina Spaczyńska (761403), Anna Mrozek-Wilczkiewicz (645763), Piotr Bartczak (761404), Mateusz Dulski (761400), Mateusz Korzec (761401), Jaroslaw Polanski (645770)   +9 more
core   +1 more source

Structure‐Guided Balancing of Ambipolar Transport Enables Symmetric Switching in Heterojunction Bilayer Organic Transistor Inverters

Advanced Functional Materials, EarlyView.
Balancing the spatially separated p‐ and n‐type transport pathways in heterojunction‐bilayer OTFTs enables symmetric inverter switching (VM ≈ 0.5VDD), whereas discrete integration of unipolar OTFTs gives polarity‐dependent and resistive responses. ABSTRACT High inverter performance in ambipolar organic electronics requires balanced channel strengths ...
Sohyun Choi, Young Yong Kim, Ji Ho Youk, Hoichang Yang   +3 more
wiley   +1 more source

Thermal and photochemical reactions of dihydrodiazines [PDF]

, 1979
This thesis describes the results of an investigation into the thermal and photochemical reactivity of dihydrodiazines.In order to prepare the title compounds the diazines and some phenyldiazines are treated with phenyllithium in ether, yielding adducts ...
Stoel, R.E., van der, van der Stoel, R.E.   +1 more
core  

Circularly Polarized Electroluminescence and Spin‐Polarized Carrier Transport in Chiral‐Doped Polymer Films

Advanced Functional Materials, EarlyView.
Chiral dopants induce supramolecular chirality in an achiral polymer (PFO), generating spin‐polarized carriers via the chiral‐induced spin selectivity (CISS) and suggesting a possible contribution of Spin‐polarized carrier transport to circularly polarized electroluminescence (CPEL).
Kazuyuki Asahi, Masashi Hasegawa, Yuuya Nagata, Tamaki Nakano, Hiroyuki Nishikawa   +4 more
wiley   +1 more source

Terthiophene on Au(111): A scanning tunneling microscopy and spectroscopy study

Beilstein Journal of Nanotechnology, 2011
Terthiophene (3T) molecules adsorbed on herringbone (HB) reconstructed Au(111) surfaces in the low coverage regime were investigated by means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) under ultra-high vacuum conditions.
Berndt Koslowski, Anna Tschetschetkin, Norbert Maurer, Elena Mena-Osteritz, Peter Bäuerle, Paul Ziemann   +5 more
doaj   +1 more source

Photoinduced Charge Separation in Single‐Component Squaraine Films: The Key Role of Electrostatic Disorder

Advanced Functional Materials, EarlyView.
ABSTRACT Neat films of organic dyes are an interesting technological platform for solar cells and photodetectors. Recently, the conventional biphasic bulk‐heterojunction paradigm for photoinduced charge separation was challenged by the observation that charge carriers can be photogenerated in single‐component materials. A comprehensive experimental and
Davide Giavazzi, João Pedro Ferreira Assunção, Michael Bauer, Matthias Diethelm, Wei‐Hsu Hu, Mohammad Jafarpour, Roland Widmer, Antonia Neels, Dimitrios Sapalidis, Bruno F. B. Silva, Roland Hany, Frank Nüesch, Anna Painelli   +12 more
wiley   +1 more source

Photoinduced Interfacial Electronic Modulation in Fe2O3‐BiVO4 Heterostructures for Enhanced Photo‐Assisted Zn‐Air Batteries

Advanced Functional Materials, EarlyView.
Light irradiation activates the Fe2O3‐BiVO4 heterostructure, enabling efficient solar‐electrochemical coupling in zinc‐air batteries. The built‐in electric field drives directional charge separation, guiding photoelectrons toward oxygen reduction sites and accumulating holes for oxygen evolution, thereby reducing polarization and enhancing discharge ...
Yili Liu, Zhenjiang Du, Enming Liu, Hongzhou Dong, Jianguang Feng, Beili Pang, Lifeng Dong, Liyan Yu   +7 more
wiley   +1 more source

A comprehensive model for chemical bioavailability and toxicity of organic chemicals based on first principles

Frontiers in Marine Science, 2014
Here, we present a novel model to predict the toxicity and bioavailability of polychlorinated biphenyls (PCBs) as model compounds based on a first principles approach targeting basic electronic characteristics. The predictive model is based on an initio
Jay eForrest, Paul eBazylewski, Robert eBauer, Seongjin eHong, Chang Yong eKim, John P Giesy, Jong Seong eKhim, Gap Soo eChang   +7 more
doaj   +1 more source

Polymer Side‐Chain Electronic Effects Regulating Solvation Sheath for Low‐Temperature and High‐Voltage Lithium Metal Batteries

Advanced Functional Materials, EarlyView.
This work reveals the influence of polymer side‐chain electronic effects on the Li+ solvation sheath in gel polymer electrolytes. Electron‐donating side chains induce the strong Li+ coordination and FDMA‐dominated solvation, impeding Li+ desolvation, whereas electron‐withdrawing side chains weaken Li+ coordination, facilitating anion‐rich solvation and
Xianbin Wu, Zhenxiang Zhu, Haotian Yang, Dayao Zhang, Zhen Geng, Cunman Zhang, Mingzhe Xue, Jian Wang   +7 more
wiley   +1 more source