Required Chemistry,Chemical Engineering freelancer for Chemist Chemical Computational Chemistry suggest dopantB estimate bandgap of graphene job

Project Description

In this interesting project you will suggest common impurities to modify the valence band, the conduction band, of dichalcogenides for schottky diodes and p-n diodes incorporating graphene and dichalcogenides.As a chemist you know how to estimate the effect of an impurity on the CB and on the VB of a semiconductive material, and to use software to calculate the bandgap. You can use common software like Matlab, Silvaco, Sentaurus, BandEng, VASP, nextnano, LAPW, PC1D Poisson, AFORS, etc. to calculate the CB, VB of common impurities and common semiconductors.As a chemist you will evaluate and rank the impurity-dichalcogenide and graphene junction for its performance as a schottky diode or a p-n diode.We will provide you with our suggestions for the heterojunction pairs, such as graphene and a dichalcogenide to make a Schottky; and our suggestions for the dichalcogenide heterojunction pair to make a p-n diode. You will suggest the impurities for a Schottky, and impurities for the pn juncton.We prefer common cationic impurities that are water or solvent soluble, to allow doping of the dichalcogenide by simple immersion of the impurity and dichalcogenide in water or solvent for a few hours. As an example, sodium chloride is taught in the scientific literature. (But I worry that sodicum chloride will cause too much trouble downstream to use it.) Examples of impurities are cationic chlorides, amino acids, peptiese, proteins.You will prepare a simple spreadsheet with your suggestions for the impurities, along with the estimated CB and VB of the impurity doped dichalcogenide, along with your preferred dichalcogenide the opposite end of the heterojunction. You will include brief notes supporting your suggestions, along with the software calculations or screenshots of the software entries, amongst other entries.An example of a suggested spreadsheet appears in this posting.It may be necessary to do literature search to estimate the zeta potential.We would prefer that you would suggest to us 4-10 different impurities to dope the dichalcogenide, to form a SCHOTTKY DIODE, and possibly alternate dichalcogenides chosen from a list that we provide.We would prefer that you would suggest to us 4-10 different impurities to dope the dichalcogenide, to form a PN JUNCTION, and again possibly alternate dichalcogenides.You will complete this project in 10 working days or less.TO BEGIN QUALIFYING FOR THIS PROJECT, PLEASE ANSWER THE FOLLOWING EASY QUESTIONS :VB - CB = ?Please list all the elements in Graphene : ?Project Milestones :Milestone 1 : You will run a couple of test cations and dichalcogenides using your software and will send us as proof of concept USD$15Milestone 2 : You will suggest 10 or 20 ions, dopants, proteins, amino acids, and other data, for schottky diodes, and send us a spreadsheet with that information. USD$35Optional Milestone 1.5 : You will do a literature search on this topic. USD$35Milestone 3 : Same as Milestone 2, but for p-n diodes. USD$35Thank you for reading this posting and for your support. Allen.

Skills & Expertise Required