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BEGIN:VEVENT
DTSTAMP:20260812T020840Z
LAST-MODIFIED:20200130T185321Z
DTSTART:20200204T203000Z
DTEND:20200204T213000Z
UID:event2256@bu.edu
URL:http://physics.bu.edu/internal/events/show/2256
SUMMARY:Novel Materials for Energy Applications from First Principles
DESCRIPTION:Featuring Jeff Neaton\, University of California\, Berkeley\nHo
	sted by: Maria Kamenetska\nPoster: http://physics.bu.edu/internal//files/do
	wnload/Neaton-Poster.pdf\n\nPart of the Physics Department Colloquia Series
	.\n\nAn active area of research is the search for new materials for solar e
	nergy and carbon emission mitigation applications. The ability to synthesiz
	e and probe new materials classes with tunable structure and composition â€
	“ such as 2d crystals\, organic semiconductors\, halide perovskites\, and m
	etal-organic frameworks – has driven the need for new intuition linking a
	tomic- and molecular-scale morphology and phenomena relevant to function\, 
	such as photophysics\, carrier dynamics\, and chemical kinetics. Here\, I w
	ill present applications of novel first-principles computational methods â€
	“ drawing on density functional theory and ab initio many-body perturbation
	 theory formalisms – for predicting and understanding the electronic stru
	cture\, photoactive excited states\, and chemical dynamics in these systems
	. Time permitting\, I will cover recent work on the photophysics of 2d semi
	conductors\, singlet fission in acene crystals\, the nature of excitons in 
	halide perovskites\, and the design of metal-organic frameworks for CO2 cap
	ture. In each case I will share how new theoretical developments\, and calc
	ulations carried out in close collaboration with experiments\, advance our 
	intuition and influence the design and synthesis of new energy materials.
LOCATION:SCI 109\, 590 Commonwealth Avenue\, 02215
STATUS:CONFIRMED
CLASS:PUBLIC
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