نتایج جستجو برای: Au (100)
تعداد نتایج: 491242 فیلتر نتایج به سال:
در این رساله، در بخش اول ویژگی های الکترونی و ساختاری سطوح دوفلزی au/m (که m عبارتست از فلزات pt، cu و fe) در نتیجه اثرات فضایی و لیگاند القاء شده به وسیله فلز دوم مورد بررسی قرار گرفته است. در ادامه پیوند اکسیژن اتمی بر روی سطح تک فلزی (100)au و همچنین بر روی سطوح دوفلزی (100)au/m بررسی شده است. در این بررسی، وابستگی این برهمکنش به ترکیب سطح au و پوشش اکسیژن سطح مدنظر قرار گرفته است. اینکه چگو...
we report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two au (100) electrodes. we show that the current was increased by increasing of the external voltage biases. the projected density of states (pdos) and transmission coefficients (t(e)) under various external voltage biases are analyzed, and it suggests t...
The spin-polarized calculations in generalized gradient approximation density–functional theory (GGA–DFT) have been used to show how the existence of second metals can modify the atomic hydrogen adsorption on Au (100), Cu (100), and Pt (100) surfaces. The computed adsorption energies for the atomic hydrogen adsorbed at the surface coverage of 0.125 ML (monolayer) for the monometallic Au (100), ...
First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...
First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...
first principle calculations were performed using density functional theory within the local spin density approximation (lsda) to understand the electronic properties of au(100)+tbt system and compare the results with au(100) and bulk au properties. band structure, the total dos and charge density for these materials are calculated. we found that the homo for au(100)+tbt becomes broader than au...
L’objectif de ce projet était de mettre à l’essai le WHOQOL-100, un instrument servant à évaluer la qualité de vie (QDV) conçu pour faciliter les comparaisons interculturelles. L’instrument a été testé à partir d’un échantillon de commodité de 144 personnes. L’âge moyen des participants était de 58 ans, et 41 % d’entre eux étaient des femmes. La fidélité de test-retest était de 0,86 pour le dom...
Seed-mediated growth is the most efficient methodology to control the size and shape of colloidal metal nanoparticles. In this process, the final nanocrystal shape is defined by the crystalline structure of the initial seed as well as by the presence of ligands and other additives that help to stabilize certain crystallographic facets. We analyze here the growth mechanism in aqueous solution of...
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