تشکیل کمپلکس الحاقی بین جزء با کمبود الکترون (پذیرنده ی الکترون) به عنوان مثال (سیکلو بیس(پارا کوات- p-فنیلن)و جزء غنی از الکترون (دهنده ی الکترون) به عنوان مثال (1و4-هیدروکسی بنزن، 1و5- دی اکسی نفتالن، 3- بای فنل، 4- بنزیدین،1و4- هیدروکسی بنزن ومشتقات تترا تیا فولوالن(، امروزه توجه بسیاری از شیمیدان ها را به خود جلب نموده است. به این ترکیبات دهنده پذیرنده الکترون، میزبان میهمان گفته می شود. به...

Electronic and optical properties of calcium, strontium and barium chalcogenide compounds in NaCl structure are studied using the band structure results obtained through the full potential linearized augmented palne wave method. Different linear relationships are observed between theoretical band gap and 1/a2 (where a is lattice constant) for calcium, strontium and barium chalcogenide compounds...

  The electronic structure, density of state (DOS) and electronic density of state inparaelectric cubic crystal Ba TiO3 are studied using full potential-linearized augmented plane wave (FP-LAPW) method in the framework of the density functional theory (DFT) with the generalized gradient approximation (GGA) by the WIEN2K package. The results show a direct band gap of 1.8 eV at the point in the B...

In this article, the electronic  and optical properties of bulk TiC and  its narrow nanowires  were investigated using Quantum-Espresso/PWSCF computational package in the framework of density functional theory. According to the results, this compound showed a  metallic behavior in the bulk structure, but the small diameters of the nanowires  against the bulk structure&n...