Spintronics by guided chemical doping and disorder Established simple electron-count, chemical-alloy design guide to enhance half-metal behavior, accelerating discovery of new spintronic systems for use in memory and nano-electronic devices.
Small-moment antiferromagnetic ordering Three zero-field magnetic transitions temperatures and six ordered phases found. These magnetically ordered phases are associated with small moments (∼0.12 μB/Ni) in the saturated state and small changes in entropy.
Improved quantum computing algorithm to find ground states of correlated quantum models A new variational quantum algorithm improves the preparation of quantum many-body ground states by automatically building efficient quantum circuits.
Deep learning crystal field parameters from thermodynamic observables Discovery of deep neural net algorithm that extracts crystal field parameters in an efficient and unbiased way from thermodynamic results.
Methyl-Driver Overhauser Dynamic Nuclear Polarization A new dynamic nuclear polarization (DNP) mechanism has been discovered involving methyl rotation to mediate an Overhauser effect (OE).
Characterizing the Solvation Characteristics of Deep Eutectic Solvents Composed of Active Pharmaceutical Ingredients Solvation properties of active pharmaceutical ingredient-based deep eutectic solvents (API-DESs) were systematically studied. API-DESs were classified into different groups using their individual solvation interactions. Grouping of API-DESs can be used to interpret and explain their behavior in various chemical separations and material science.
Investigating the Solvation Interactions of Deep Eutectic Solvents Formed Using Choline Chloride and Polyalcohols Solvation characteristics of deep eutectic solvents (DESs) comprised of choline salts as the hydrogen bond acceptor (HBA) and polyols as hydrogen bond donor (HBD) were thoroughly characterized using gas chromatography.
Characterizing the Solvation Interactions of Choline Chloride-based Deep Eutectic Solvents Employed in Separations Solvation properties of choline chloride-based deep eutectic solvents (DESs) were thoroughly characterized using gas chromatography for the first time.
Using a Chromatographic Pseudophase Model to Elucidate the Mechanism of Olefin Separation by Silver(I) Ions in Ionic Liquids A three-phase chromatographic model treating silver(I) ions as a pseudophase is constructed and applied to investigate the olefin separation mechanism in silver(I) salt/ionic liquid (IL) mixtures. The partition coefficients and the values for enthalpy, entropy, and free energy of solvation of analytes are determined using the model.
3D Structures of Single Site Catalysts From the Ground Up A robust method for determining the 3D structures of arbitrary silica-supported molecules is developed.