Molecular-Distance-Dependence of Electronic States of Phthalocyanine – Fullerene C<sub>60</sub> Systems
نویسندگان
چکیده
منابع مشابه
Application of Distance and Similarity Measures. the Comparison of Molecular Electronic Structures in Arbitrary Electronic States
The mathematical concepts of distance and similarity measures are introduced into quantum chemistry to aid in the comparison of molecular electronic structures in arbitrary electronic states. Some partial measures are defined to help in estimating the similarity between molecular subunits. The distance measure is constructed using the elements of the charge-bond-order matrix. Some fields of pos...
متن کاملLocalization of electronic states by fullerene charges in carbon nanotubes
We study the effects of the electrostatic interaction produced by charged metallofullerenes encapsulated in carbon nanotubes, showing that they are able to modify locally the electronic density of states in the hybrid system. In the cases where the interaction is felt as an attractive potential by the electrons in the nanotube, localized electronic states are formed in the nanotubes around the ...
متن کاملinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولthe effect of the utilization of electronic dictionaries on depth and breadth of vocabulary knowledge: a case of iranian efl learners
مطالعه حاضر تلاشی است برای بررسی تأثیرات به کارگیری فرهنگ لغات ، یکی از مهمترین ابزارهای یادگیری واژگان درفراگیری زبان خارجی، بر روی دانش لغوی. دراین تحقیق فرهنگ های الکترونیکی در قیاس با فرهنگ های چاپی مورد بررسی قرارگرفته اند که آیا این فرهنگ ها تاثیرقابل توجهی بر روی دوبعد کمی و کیفی دانش لغوی یعنی عمق و گستره لغات می گذارند. همچنین مشخص گردیده است که آیا تفاوت قابل ملاحظه ای میان عمق و گستر...
15 صفحه اولElectronic transport in fullerene C20 bridge assisted by molecular vibrations.
The effect of molecular vibrations on electronic transport is investigated with the smallest fullerene C20 bridge, utilizing the Keldysh nonequilibrium Green's function techniques combined with the tight-binding molecular-dynamics method. Large discontinuous steps appear in the differential conductance when the applied bias voltage matches particular vibrational energies. The magnitude of the s...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2017
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.2017-0064