Crystal and electronic structure of KF.2H2O
نویسندگان
چکیده
منابع مشابه
Crystal and electronic structure of Li15Si4
Silicon is one of the most promising anode materials for future rechargeable batteries because of its high theoretical capacity. New crystalline Li15Si4 was found as the fully electrochemical lithiated phase of crystalline Si or amorphous Si. Density functional theory was used to study the crystal and electronic structure of Li15Si4. Li15Si4 is formed by the unit figure in which six Li atoms su...
متن کاملthe underlying structure of language proficiency and the proficiency level
هدف از انجام این تخقیق بررسی رابطه احتمالی بین سطح مهارت زبان خارجی (foreign language proficiency) و ساختار مهارت زبان خارجی بود. تعداد 314 زبان آموز مونث و مذکر که عمدتا دانشجویان رشته های زبان انگلیسی در سطوح کارشناسی و کارشناسی ارشد بودند در این تحقیق شرکت کردند. از لحاظ سطح مهارت زبان خارجی شرکت کنندگان بسیار با هم متفاوت بودند، (75 نفر سطح پیشرفته، 113 نفر سطح متوسط، 126 سطح مقدماتی). کلا ...
15 صفحه اولDensity Functional Studies on Crystal Structure and electronic properties of Potassium Alanate as a candidate for Hydrogen storage
Potassium Alanate is one of the goal candidates for hydrogen storage during past decades. In this report, initially the Density Functional Theory was applied to simulate the electronic and structural characteristic of the experimentally known KAlH4 complex hydride. The relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...
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 اولSYNTHESIS AND CRYSTAL STRUCTURE OF [PPh ] [WOS (CUNCS) ]
The reaction of [PPhJ, NOS,] with CuCl and KSCN (1 :3:3) in acetone produces the yell-ow crystals of [PPh,], [WOS,(CuNCS),]. The crystals are triclinic, space group P1(2), z=2, a=12.4823(7), b=12.9224(7), c=18.6395(10)?, ?=83.907(5), ?= 73.152(4), Y= 65.194(4)'. The crystal structure was determined by single crystal Xray diffraction methods (Mo-K ?) and refined by least-squares calculations ...
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: Acta Crystallographica Section A Foundations of Crystallography
سال: 1993
ISSN: 0108-7673
DOI: 10.1107/s0108767378092065