✦ LIBER ✦

Novel approach for energy band diagram and barrier heights in metal/organic structures

✍ Scribed by Il-soo Park; Soonryong Park; Junsik Oh; Joohwa Lee

Book ID: 104075848
Publisher: Elsevier Science
Year: 2007
Tongue: English
Weight: 371 KB
Volume: 8
Category: Article
ISSN: 1566-1199
DOI: 10.1016/j.orgel.2007.01.003

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Energy band structure and metal–organic

Energy band structure and metal–organic interactions in tetracyanoquinodimethane (TCNQ) and N,N′-dicyanoquinonediimine (DCNQI) materials

✍ Kojima, Hirotaka; Zhang, Zhongyue; Dunbar, Kim R.; Mori, Takehiko 📂 Article 📅 2013 🏛 The Royal Society of Chemistry 🌐 English ⚖ 740 KB

Comparative theoretical study of transit

Comparative theoretical study of transition structures, barrier heights, and reaction energies for the intramolecular tautomerization in acetaldehyde/vinyl alcohol and acetaldimine/vinylamine systems

✍ J. Andrés; L. R. Domingo; M. T. Picher; V. S. Safont 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 207 KB 👁 2 views

The transition structures associated with the possible intramolecular tautomerization for acetaldehydervinyl alcohol and acetaldiminervinylamine systems as models of ketorenol and iminerenamine interconversion processes, respectively, were characterized. The relative stabilities of the tautomers and

“Constructive Nanolithography”: Inert Mo

“Constructive Nanolithography”: Inert Monolayers as Patternable Templates for In-Situ Nanofabrication of Metal–Semiconductor–Organic Surface Structures—A Generic Approach

✍ R. Maoz; E. Frydman; S. R. Cohen; J. Sagiv 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 546 KB

SPIE Proceedings [SPIE SPIE Organic Phot

SPIE Proceedings [SPIE SPIE Organic Photonics + Electronics - San Diego, California, United States (Sunday 25 August 2013)] Organic Light Emitting Materials and Devices XVII - Correlation between exciton-induced degradation of organic/metal interfaces and energy barrier for electron injection at organic/metal interfaces in organic optoelectronic devices

✍ Wang, Qi; Aziz, Hany; So, Franky; Adachi, Chihaya 📂 Article 📅 2013 🏛 SPIE ⚖ 245 KB

Oxygenate, oxyalkyl and alkoxycarbonyl t

Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenatesElectronic supplementary information (ESI) available: Supplementary Table A: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational CONSTS (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by H atom from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table B: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational constants (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by CH3 group from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table C: Number of minima on the one-dimensional rotational potential energy surface and the relative energies (in kcal mol?1) of minima together with the total barrier height (in kcal mol?1) for rotation around the specified bond at the HF/6-31G(d?) level. See http://www.rsc.org/suppdata/cp/b3/b307050f/

✍ Sumathi, R.; Green, Jr., William H. 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 345 KB