Title:
AI for 2D materials design
Agreement Number:
1003067
Agreement Value:
$330,000.00
Agreement Date:
Mar 27, 2023 - Mar 31, 2026
Description:
One of the critical challenges for some potential 2D materials is the lack of stability which requires surface passivation to suppress rapid degradation. AI-aided material design and simulation will accelerate the discovery of potential candidates with preferable physical and chemical properties for 2D materials. This project will use density functional theory (DFT) computational modeling with AI methods to enable the design of new materials, design of new processes for 2D materials passivation and increase exposure and understanding the impact of molecular absorption on 2D materials. AI-predicted band gap, energy levels, optical properties of 2D materials with different surface modification/passivation will identify the best candidates of materials for the energy harvester, sensors and photonics applications. To identify the selective passivation molecular deposition on 2D materials will open a wide window for 2D materials overcome the challenge of stability issue. The developed AI-driven virtual material screening methods can be adopted for further development in the future.
Organization:
National Research Council Canada
Expected Results:
In the short term, anticipated outcomes will be strengthened collaborations across industry, academia, and government to support research excellence. In the medium term, anticipated outcomes will be the development of new and potentially disruptive technologies with collaborators. In the long term, find collaborative solutions to public policy challenges and create stronger innovation systems.
Location:
Toronto, Ontario, CA M5S 1S8
Reference Number:
172-2022-2023-Q4-1003067
Report Type:
Grants and Contributions
Recipient Business Number:
108162330
Additional Information:
This agreement has been amended 1 time(s) the total amended value is $330,000.The end date of this agreement has been modified by 380 days.
Amendment Date
Feb 28, 2025
Recipient's Legal Name:
The Governing Council of the University of Toronto
Federal Riding Name:
University--Rosedale
Federal Riding Number:
35112
Program:
Collaborative Science, Technology and Innovation Program - Collaborative R&D Initiatives
Program Purpose:
Collaborate on multiparty research and development programs to catalyze transformative, high-risk, high-reward research with the potential for game-changing scientific discoveries and technological breakthroughs in priority areas.