Accession Number:

AD1017245

Title:

Toward Computational Design of High-Efficiency Photovoltaics from First-Principles

Descriptive Note:

Technical Report,01 May 2013,30 Apr 2016

Corporate Author:

CALIFORNIA STATE UNIV NORTHRIDGE NORTHRIDGE United States

Personal Author(s):

• Lu,Gang

Report Date:

2016-08-15

Pagination or Media Count:

10.0

Abstract:

The objectives of the project are three-fold 1 Development of first-principles simulator to understand the fundamental physical processes underlying the performance of the solar cells. 2 Identifying key physical quantities and materials parameters controlling the efficiency of the solar cells and translating the understanding to a set of materials design rules. 3 Providing theoretical guidance and computational screening for molecular design of materials to achieve high efficiency.

Descriptors:

• solar cells
• First Principles calculations
• integrated computational materials engineering
• computational modeling
• density functional theory
• perovskites
• molecular dynamics simulations
• charge transfer

Subject Categories:

• Electric Power Production and Distribution
• Atomic and Molecular Physics and Spectroscopy
• Nuclear Physics and Elementary Particle Physics
• Operations Research

Distribution Statement:

APPROVED FOR PUBLIC RELEASE