NDLI: Alloying ZnS to create transparent conducting materials

Content Provider	IEEE Xplore Digital Library
Author	Faghaninia, A. Bhatt, K.R. Lo, C.S.
Copyright Year	2015
Description	Author affiliation: Dept. of Energy Sci. & Eng., Indian Inst. of Technol. Bombay, Mumbai, India (Bhatt, K.R.) \|\| Dept. of Energy, Environ. & Chem. Eng., Washington Univ., St. Louis, MO, USA (Faghaninia, A.; Lo, C.S.)
Abstract	In the exploration and design of new transparent conducting materials (TCM), alloyed ZnS has shown great promise. Particularly, Cu:ZnS is particularly intriguing as a p-type TCM, which, when combined with n-doped ZnS, could find eventual applications in photovoltaics and optoelectronics. We desire to identify the most promising materials with the optimal combination of physical stability, transparency, and electrical conductivity. In this study, we employ hybrid density functional theory and a new carrier transport model, aMoBT, developed within the Boltzmann transport framework, to analyze the defect physics of different cation and anion alloyed ZnS. We obtain formation energies and correct band gaps for ZnS doped with B, Al, Ga, In, Tl, F, Cl, Br and I. Furthermore, we calculate the effective mass and electrical mobility of these compounds at various compositions, temperatures and electron concentrations, to identify the best-performing n-doped ZnS TCMs, without need for costly experimental trial and error. Our results show that among the doping candidates, Al:ZnS is the most promising with the highest solubility, the smallest reduction in the band gap, and the highest conductivity of 41 S · $cm^{-1}$ at 300 K (9.375% Al, n = 2.32 × $10^{18}$ $cm^{-3}).$ Our calculations predict that the conductivity may be as high as 881 S · $cm^{-1}$ (at 300 K) at a high concentration of n = 1.00×1020 $cm^{-3}.$ Furthermore, our ab initio electronic and thermodynamics calculations provide significant insight on phase stability and the underlying electronic interactions that result in optimal transparent conducting behavior.
Starting Page	1
Ending Page	6
File Size	993526
Page Count	6
File Format	PDF
e-ISBN	9781479979448
DOI	10.1109/PVSC.2015.7355926
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2015-06-14
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Extraterrestrial measurements Gallium Nonhomogeneous media ab initio calculations Solar energy Charge carrier mobility Conductivity Computational modeling Predictive models
Content Type	Text
Resource Type	Article

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

ab initio electronic transport model for photovoltaics

Theory and interpretation of transient photoluminescence measurements

Development of high-performance transparent conducting oxides and their impact on the performance of CdS/CdTe solar cells

Carrier traps in ethylene-styrene copolymer

Space charge accumulation in multilayer insulators

Ab-initio cluster calculations of hole transport and activator excitation in CsI:Tl and CsI:Na

Transient phenomena of space charge distributions in polypropylene laminated paper

Transient phenomena of space charge distributions in polypropylene laminated paper

Transient X-Ray Induced Conductivity in Single Crystal and Fused Quartz

Alloying ZnS to create transparent conducting materials

Similar Documents

ab initio electronic transport model for photovoltaics

Theory and interpretation of transient photoluminescence measurements

Development of high-performance transparent conducting oxides and their impact on the performance of CdS/CdTe solar cells

Carrier traps in ethylene-styrene copolymer

Space charge accumulation in multilayer insulators

Ab-initio cluster calculations of hole transport and activator excitation in CsI:Tl and CsI:Na

Transient phenomena of space charge distributions in polypropylene laminated paper

Transient phenomena of space charge distributions in polypropylene laminated paper

Transient X-Ray Induced Conductivity in Single Crystal and Fused Quartz

Alloying ZnS to create transparent conducting materials