Massachusetts Institute of Technology
Sign in | Create Account

Exploring New Materials for Energy Applications with Theory and Computation - Jeff Neaton

Recorded on 4/17/12 - Presented as part of the IHS-CERA MITEI Seminar Series

Abstract

New materials, architectures, and concepts are needed to realize many low-cost, sustainable energy conversion and carbon mitigation applications. Organic semiconductors and transition-metal oxides comprise two promising classes of materials in this respect. Although structurally distinct, organics and oxides share astonishing chemical diversity; highly-localized, sometimes strongly-correlated electronic states; and, in instances, appreciable non-covalent interactions. As such, they provide a broad design space but also significant challenges to contemporary electronic structure theory. In this talk, I will describe theoretical and computational studies, based on first-principles density functional theory and beyond, of organic semiconductors and donor-acceptor interfaces in solar cells; transition metal oxide photocatalysts; and metal-organic frameworks for carbon capture.

About the speaker

Jeffrey B. Neaton is the Director of the Theory of Nanostructured Materials Facility at the Molecular Foundry at Lawrence Berkeley National Laboratory. He is also Deputy Director for Science of the Materials Sciences Division at Berkeley Lab. His interests are in the theory and simulation of the electronic structure of materials, with particular focus on the molecular-scale understanding of light-matter interactions and charge dynamics in new materials relevant to energy conversion and carbon capture. He has published over 70 articles in leading journals, and given more than 80 invited talks and seminars worldwide. In 2009, he received the Presidential Early-Career Award for Scientists and Engineers (PECASE).

Comments (0)

It looks like no one has posted a comment yet. You can be the first!

You need to log in, in order to post comments. If you don’t have an account yet, sign up now!

MIT Energy Initiative

MIT Energy Initiative

Category: Global Awareness & Action | Updated 23 days ago

Created
April 20, 2012 14:13
Category
License
All Rights Reserved (What is this?)
Additional Files


Viewed
4303 times

More from MIT Energy Initiative

C3E 2012: Challenges and Opportunities for Energy Policy

C3E 2012: Challenges and Opportunit...

Added 2 years ago | 00:58:52 | 2335 views

An Efficient Future for Energy Use in the Built Environment  - Neal Elliott

An Efficient Future for Energy Use ...

Added almost 4 years ago | 01:05:00 | 9126 views

C3E 2012: Issue Framing - Susan Tierney

C3E 2012: Issue Framing - Susan Tie...

Added 2 years ago | 00:21:01 | 1772 views

Dan Rather Reports - "Power Play" - March 1, 2011

Dan Rather Reports - "Power Play" -...

Added over 3 years ago | 00:51:06 | 6652 views

The Future of Nuclear Power - Richard Meserve

The Future of Nuclear Power - Richa...

Added almost 2 years ago | 01:08:27 | 1670 views

Designing Chemically Robust Metal Oxides for Visible-Light Photocatalysis: toward Solar Z-Scheme Water Splitting

Designing Chemically Robust Metal O...

Added over 1 year ago | 01:09:33 | 1813 views