Research Highlights

Controlling Water-Surface Interactions Enhances Catalytic Performance in C-C Bond Forming Reactions

A new catalyst that allows using water instead of organic solvents in C-C bond forming reactions is presented. A simple method is developed for regulating the dielectric properties of solid-liquid interfaces. This approach can decrease the environmental impact of catalytic conversions.

Squeezed Nanocrystals

We have developed and validated a model which predicts size-independent shapes of metal nanoparticles that are supported on a solid surface and blanketed by a two-dimensional material such as graphene.

Manipulating Coherent Transport in Topologically Protected Surface States

Topology-protected charge transport on surfaces of three-dimensional topological insulators (TIs) is breaking new ground in quantum science and technology.

Ab Initio Simulation of DNP Enhancements

Accelerating the discovery of improved polarizing agents through simulation requires a proper treatment of the concerted dynamics of thousands of spins over several seconds, far exceeding conventional approaches incorporating only a handful of spins. This was achieved by restricted state space methods and a Monte Carlo optimization algorithm to calculate the enhancements directly, without worrying about the timescale of the interactions. This new approach enabled the calculation of DNP enhancements in systems containing upwards of 50 spins allowing for the importance of the spin diffusion and the diffusion barrier to be determined.

Simple stress criterion for navigating phase transformations

Lattice instability criterion is linear in stresses for any stress state in a material.

Stability of metal-sulfur complexes on metal surfaces and ramifications for the fluxional dynamics of surfaces under reaction conditions

Theoretical analysis of the stability of M3S3 complexes on various metal M surfaces, and development of a framework to systematically compare this with the gas-phase behavior.

New Quantum Criticality Discovered in Superconductivity

Understanding the link between magnetism and unconventional superconductivity remains a grand challenge in quantum materials. Significant progress gaining deeper insight into this challenge has been made via the first observation of a quantum criticality (QC) with a hedgehog spin-vortex crystal antiferromagnetic state.

Rapid Characterization of Organolead Halide Perovskites

Organolead halide and mixed halide perovskites (CH3NH3PbX3, CH3NH3PbX3–nYn, X and Y = Cl–, Br–or I–), are promising materials for photovoltaics and optoelectronic devices but phase segregation halide ion speciation in mixed halide perovskites remain a challenge. Here we show that both fast MAS and DNP-enhanced solid-state NMR spectroscopy can increase sensitivity while reducing data acquisition time.

Localization-Based Super-Resolution Cellular Imaging with a Photoactivatable BODIPY Probe

Developed a boron-alkylated BODIPY single-molecule-localization-microscopy (SMLM) probe that is photoactivated with a single low-power visible laser. Nucleophile-containing compounds can be bound to the probe for super-resolution imaging of cellular structures.

microscopy of boron-alkylated BODIPY molecules

CMI’s Al-Ce research on major journal cover

CMI-developed Al-Ce alloys featured on the cover of a high-impact journal