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


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: Environment/Energy | Updated 6 days ago

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

5193 times

More from MIT Energy Initiative

Nate Lewis - Sunlight-driven hydrogen formation by membrane-supported photoelectrochemical water splitting

Nate Lewis - Sunlight-driven hydrog...

Added over 6 years ago | 01:07:20 | 35900 views

A Preliminary Review of the American Recovery and Reinvestment Act's Clean Energy Package

A Preliminary Review of the America...

Added almost 4 years ago | 01:19:00 | 4968 views

Historical Perspectives on Climate Change: Scientific, Technological, and Social Dynamics

Historical Perspectives on Climate ...

Added over 3 years ago | 01:15:42 | 3262 views

Rethinking carbon capture and sequestion

Rethinking carbon capture and seque...

Added over 2 years ago | 01:04:33 | 1648 views

Marija Ilic: Engineering IT-Enabled Electricity Services

Marija Ilic: Engineering IT-Enabled...

Added over 4 years ago | 01:12:00 | 9935 views

Robert Solow - The State of the Economy & Some Implications for the Energy Industry

Robert Solow - The State of the Eco...

Added almost 4 years ago | 01:06:00 | 6660 views