پديد آورنده :
قجاوند، علي
عنوان :
نانو ساختارهاي دوبعدي بر پايه ژرمانيوم
مقطع تحصيلي :
كارشناسي ارشد
محل تحصيل :
اصفهان : دانشگاه صنعتي اصفهان
صفحه شمار :
يازده، 71 ص. : مصور، جدول، نمودار
استاد راهنما :
جواد هاشمي فر
استاد مشاور :
امير الحاجي
توصيفگر ها :
محاسبات نظريه تابعي چگالي , مواد دوبعدي , طيف فونوني , خواص فوتوكاتاليزوري , خواص اپتيكي , روش DFT 1/2 , روش mBJ , ژرمانن
استاد داور :
اسماعيل عبدالحسيني سارسري، پيمان صاحب سرا
تاريخ ورود اطلاعات :
1399/03/05
تاريخ ويرايش اطلاعات :
1399/03/06
چكيده انگليسي :
Germanium based two dimensional nanostructures Ali Ghojavand a ghojavand@ph iut ac ir March 11 2020 Department of Physics Isfahan University of Technology Isfahan 84156 83111 Iran Degree M sc Language Farsi Supervisor Dr S J Hashemifar hashemifar@iut ac irAbstract In this project we have employed first principles calculations to study dynamical structuraland electronic properties of GeC GeN GeO GeSi GeS GeSe and germanene The most stablestructure of each of these systems is identified after considering the most probable configurationsand performing phonon calculations We introduce a new phase of germanene which issignificantly more stable than the known hexagonal germanene We apply the modern modifiedbecke johnson mBJ and DFT1 2 schemes to obtain an accurate band structure for our 2Dmaterials The band edges of our semiconducting 2D materials are accurately aligned to the vaccumlevel to address the potential photocatalytic application of this system for water splitting and carbondioxide reduction The optical properties including dielectric functions refractive index reflectivity and Loss function of the samples are investigated in the framework of the Bethe Salpeter approach Keywords density functional theory calculations two dimensional materials phonon spectrum photocatalyticproperties optical properties mBJ method DFT1 2 method Germanene
استاد راهنما :
جواد هاشمي فر
استاد مشاور :
امير الحاجي
استاد داور :
اسماعيل عبدالحسيني سارسري، پيمان صاحب سرا
