Structural Disorder at the Edges of Rubrene Crystals Enhances Singlet Fission

Structural Disorder at the Edges of Rubrene Crystals Enhances Singlet Fission

In our latest paper, researchers in the Roberts, Zanni, and Rossky Groups illustrated how structures found at the edges of orthorhombic rubrene crystals impact singlet fission using transient absorption microscopy, molecular dynamics simulations, and electronic structure calculations.

Through demonstrating that it is possible to control fission in time and space using structural distortions of singlet fission materials, these materials can be applied in light-harvesting, photocatalysis, and quantum information science.

Science doesn’t stop for a storm

Science doesn’t stop for a storm

CAFF Director Christy Landes held the most recent Wintergreen Meeting of Physical Chemists (September 23-27,) and even Tropical Storm Ophelia couldn’t stop these brainstorms! From postdoc to professor, 40 researchers gathered to share their work and discuss the latest topics in physical chemistry.

The next Wintergreen Meeting of Physical Chemists will be September 27-October 1, 2025.

2023 Wintergreen Meeting of Physical Chemists Participants

Special thanks to our 2023 participants!

Ultrafast microscopy in review

Ultrafast microscopy in review

In this Center review by the Dionne, Zanni, Gruebele, Roberts, Link, and Landes Groups, our researchers delved into the advancements in ultrafast microscopy techniques, focusing on transient absorption and two-dimensional microscopy which allow us to examine the dynamic behavior of  samples.

The review demonstrates how ultrafast microscopy aids in our understanding of the impact of microscopic heterogeneity on both physical and chemical processes. It may even prove to be integral to advancing quantum yields, exciton lifetimes, and carrier diffusion efficiency for modern technologies in energy conversion, catalysis, and many other areas.

Levine student wins ACS COMP Undergraduate Poster Award at ACS National Meeting Fall 2023

Levine student wins ACS COMP Undergraduate Poster Award at ACS National Meeting Fall 2023

Zain Zaidi with his ACS COMP Undergraduate Poster Award

Undergrad student Zain Zaidi (Levine Group, Stony Brook University) won the ACS Computers in Chemistry Division’s Undergraduate Poster Award at the ACS National Meeting in San Francisco in August 2023!

Zain is a new member of CAFF and we look forward to helping him grow as he pursues degrees in Chemistry and Chemical Physics. He is currently working on our carbon dot project.

Machine-learned force field transforms computational modeling

Machine-learned force field transforms computational modeling

Examples of coordination geometries adopted by acetate ligands, using descriptive labels suggested in the literature. (28,53)

Modeling the light-driven chemical reactions of semiconducting nanocrystals has been a challenge due to the complex nature of the systems and their size, although these crystals make exceptional materials for optoelectronic devices.

Researchers from Rice University (Rossky Group) and the University of Texas at Austin (Roberts Group) developed a machine-learned force field trained on DFT data to investigate the surface chemistry of one such nanocrystal. In doing so, they were able to show that carboxylate ligands adopt a wide range “tilted-bridge” and “bridge” geometries to passivate the surface of nanocrystals. Their study demonstrates that machine-learned force fields have great potential for use in modeling of semiconducting nanocrystal.

First-year chemistry students learn data analytics in new lab curriculum

First-year chemistry students learn data analytics in new lab curriculum

Prof. Martin Gruebele, far left, joins his team that created a low-cost method for teaching community college students the basics of instrument assembly and data analysis. The colors of the spectrum are broken down as they use a spectrometer built from a kit to use in analyzing dyed fluids. From left, Prof. Martin Gruebele, Alison Wallum, Amy Nicely and Zetai Liu.

A team of scientists at the University of Illinois Urbana-Champaign, Rice University and Danville Area Community College has created an affordable laboratory curriculum for teaching advanced data analysis techniques and instrument building to first-year general chemistry students.

Students in the course at DACC get a first-hand look at the inside of a spectrometer by building a simple one from a kit and discover how they can use programming and data science techniques to extract hidden information from chemical measurements, the scientists say.

Students win 2023 NSF Graduate Research Fellowships

Students win 2023 NSF Graduate Research Fellowships

2023 NSF GRF Recipients (from top left clockwise: Sadie Brasel, Eric Gomez, Autumn Bruncz, Zac Faitz)Students Zac Faitz (Zanni Group, University of Wisconsin-Madison), Autumn Bruncz, Sadie Brasel, and Eric Gomez (Link Group, Rice) have been awarded 2023 NSF Graduate Research Fellowships!

Each of them are valuable members of our Center, and they come from distinct backgrounds that shaped them into the scientists they are today. Read more here!

Landes student wins 2023 RURS Shapiro Showcase

Landes student wins 2023 RURS Shapiro Showcase

Annette Jones with her Shapiro Showcase AwardUndergrad student Annette Jones (Landes Group, Rice University) won the Shapiro Showcase at the 2023 Rice Undergraduate Research Symposium!

We wish her the best of luck as she heads to the Massachusetts Institute of Technology in fall 2023 to pursue a Ph.D. in Chemistry.

Nanoparticles make it easier to turn light into solvated electrons

Nanoparticles make it easier to turn light into solvated electrons

There are many ways to initiate chemical reactions in liquids, but placing free electrons directly into water, ammonia and other liquid solutions is especially attractive for green chemistry because solvated electrons are inherently clean, leaving behind no side products after they react.

In a published study in the Proceedings of the National Academy of Sciences, researchers from the Center for Adapting Flaws into Features (CAFF) uncovered the long-sought mechanism of a well-known but poorly understood process that produces solvated electrons via interactions between light and metal.

More links aren’t necessarily better for hybrid nanomaterials

More links aren’t necessarily better for hybrid nanomaterials

Chemists from Rice University and the University of Texas at Austin discovered more isn’t always better when it comes to packing charge-acceptor molecules on the surface of semiconducting nanocrystals.

Rossky, Roberts and colleagues at CAFF systematically studied hybrid materials containing lead sulfide nanocrystals and varying concentrations of an oft-studied organic dye called perylene diimide (PDI). The experiments showed that continually increasing the concentration of PDI on the surface of nanocrystals eventually produced a precipitous drop in electron transfer rates.

Director Christy Landes awarded by ACS-GHS

Director Christy Landes awarded by ACS-GHS

Christy Landes Hightower Award

CAFF Director Prof. Christy Landes was given the 2022 Joe W. Hightower Award at the American Chemical Society – Greater Houston Section Awards Banquet on October 7, 2022.

The Hightower Award was established in 1969 to provide recognition for meritorious contributions to the welfare and distinction of the Greater Houston Section, as demonstrated by outstanding and significant contributions to education, research, Sectional service and/or service to the chemistry community.

Graduate Student Alexander Al-Zubeidi Defends Thesis

Graduate student Alexander Al-Zubeidi defends thesis

Al-Zubeidi, Alexander_Rice

Congratulations to Dr. Alexander Al-Zubeidi for successfully defending his Ph.D. thesis entitled, “Plasmonic Hot Carrier-Driven Electrochemistry” on August 19, 2022!

The need for renewable energy has sparked widespread interest in photocatalysts, including systems based on plasmonic metal nanoparticles. To take advantage of these materials, a fundamental understanding of how plasmon-induced hot-carriers drive chemical reactions is needed. This work examines how different hot carrier distributions affect electrochemical reactions of plasmonic nanoparticles, and how applied electrochemical potentials can be used to modify the reactivity of hot carriers.

Dr. Al-Zubeidi accepted a postdoctoral research associate position with the Link Lab at Rice University.

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