Discovery of Isomerization Intermediates published in ACS Nano

By rich | Published: September 5, 2024

Reilly and Tom have uncovered isomerization intermediates in CdS magic sized clusters.

A team of researchers at Cornell University has made a significant nanoscience breakthrough, uncovering intermediate states in the isomerization of cadmium sulfide (CdS) magic-size clusters (MSCs). This discovery challenges our understanding of how atomic structures can change, offering new insights into the fundamental chemistry and physics of nanomaterials.

What is Isomerization and Why Does It Matter?

 

Isomerization is a process where a molecule is transformed into another molecule with the same chemical formula but a different atomic arrangement. This phenomenon is well-known in organic chemistry, where molecules primarily composed of carbon atoms undergo rearrangements that play a crucial role in various biological and chemical processes. However, in inorganic materials (substances that generally do not contain carbon-hydrogen bonds, such as the CdS MSCs studied by the Cornell team) this phenomena is a much newer area of exploration. Only until 5 years ago was it uncovered that that inorganic materials are able to isomerize like organics. Understanding how these transformations occur is essential for advancing our knowledge of material science and could have implications for developing new technologies in electronics, optics, and energy.

 

Previously, scientists found that the CdS MSCs could transform between two distinct atomic states, the alpha and beta states. The transition was too fast to observe the pathway between the states, leaving the researchers believing that the transformation was a coherent hop between the beginning and ending state. But the Robinson group research team, lead by Cornell PhD candidate Reilly Lynch, had an idea about how to uncover any transition states. The team used a mild chemical to initiate the transformation, allowing them at a pace that was orders of magnitude slower than the previous transformation. With this small modificatoin they discovered there were a series of three stable intermediates states between the alpha and beta end structures. Already this was an interesting find, but what makes this discovery particularly intriguing is that these intermediates, while having nearly identical atomic structures to the final state, exhibit significant differences in electronic properties—specifically, their bandgap (the color they appear) can differ by as much as 583 meV from the final state. To put this number in perspective, the thermal energy of room temperature is 20x smaller than this value.

Why This Matters

The bandgap of a material determines its electronic and optical properties, such as how it absorbs light or conducts electricity. Finding an intermediate state with a large bandgap difference but nearly identical atomic structure to its final state suggests that there is a decoupling of the atomic structure and electronic properties in these nanoclusters. This challenges conventional understanding and suggests that there may be more to discover about how atomic-scale interactions can influence material properties in unexpected ways.

Looking Ahead

This groundbreaking work not only solves a longstanding puzzle in the study of nanoclusters but also opens up new avenues for research into the underlying mechanisms of isomerization. The findings could lead to advances in the design of materials with tailored electronic and optical properties, potentially impacting fields as diverse as renewable energy, nanotechnology, and quantum computing.

For more information about this research, please contact Richard D. Robinson at the Department of Materials Science and Engineering, Cornell University.

Discovery of Isomerization Intermediates in CdS Magic-Size Clusters,” Reilly P. Lynch, Thomas J. Ugras, Richard D. Robinson, ACS Nano (2024) https://doi.org/10.1021/acsnano.4c08319

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