Solving the Nano-structure Problem in Gold Nanoparticles Using PDF.

Congratulations to the Billinge Group’s post-post doc, now assistant professor in the Department of Chemistry at the University of Copenhagen, Kirsten Jensen, for her recent Nature Communications paper which determined the polymorphic structural nature of a gold based nano-particle using the Pair distribution function (PDF) method. This is exceptional because these nano particles are ultra-small, and have unique… Read More Solving the Nano-structure Problem in Gold Nanoparticles Using PDF.

Congratulations to group Post-doc Zurab Guguchia.

It is not often that a member gets direct recognition from the president of a nation. Zurab was recently awarded the Georgian Order of Honor for his work elucidating the microscopic properties of high-temperature superconductors while at the Laboratory for Muon Spectroscopy (LMU). Such impressive work also earned Zurab the internationally competitive Tsinandali Award in… Read More Congratulations to group Post-doc Zurab Guguchia.

NSF funded project takes off at Columbia: DMREF: Deblurring our View of Atomic Arrangements in Complex Materials for Advanced Technologies

Deblurring our View of Atomic Arrangements in Complex Materials Novel materials will impact our society in new and exceptional ways. Imagine, for instance, a material that is transparent with an exceptionally low thermal conductivity: it could be used as a window that completely blocks radiated heat from sunlight during summer and traps all the heat… Read More NSF funded project takes off at Columbia: DMREF: Deblurring our View of Atomic Arrangements in Complex Materials for Advanced Technologies

The Billinge Group has one of Brookhaven National Laboratory’s Top-10 Science Successes of 2016

The group has been featured in Brookhaven National Laboratory’s Top-10 Science Successes of 2016 for contributions in advanced data analytics. PDF analysis of the x-ray scattering data revealed two polymorphs of gold-144 nanoparticles including a structure never seen before. The discovery shines the light on the atomic arrangement within these gold nanoparticles and paves the… Read More The Billinge Group has one of Brookhaven National Laboratory’s Top-10 Science Successes of 2016

mPDF study of MnO highlighted by Brookhaven and Columbia

Billinge group members and collaborators recently conducted a detailed experimental and theoretical study of the magnetic interactions in the classic antiferromagnet MnO using magnetic pair distribution function (mPDF) analysis, resulting in a publication in Physical Review Letters (Frandsen et al, Phys. Rev. Lett. 116 197204, see here). This work, which has furthered the methodology of… Read More mPDF study of MnO highlighted by Brookhaven and Columbia

American Crystallography Association (ACA) 2016!

As the Billinge group looks forward to ACA 2016, we look back on the 2015 meeting! 1) Our very own, Simon Billinge and Pavol Juhas gave an exciting session on PDF application in pharmaceuticals. Specifically, how to use PDF analysis to determine solid-state structures of active pharmaceutical ingredients (APIs), for quality control, stability studies and… Read More American Crystallography Association (ACA) 2016!

Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function

Analysis of atomic pair distribution function (PDF) has been widely applied and many wonderful results were obtained. However, studies on organic materials haven’t been practically feasible. The major difficulty is to maintain the molecular geometry during refinement. A method towards the solution and refinement of organic crystal structure are developed. By considering constraints on molecular… Read More Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function

TSPDF correlates variation in local structure with kinetic behavior in amorphous pharmaceutical formulations

Many newly discovered, and possibly life-saving, drug compounds do not possess sufficient solubility or permeability in the digestive tract to make it to production status. Amorphous and nanocrystalline drug dispersions are being developed to overcome these issues but result in secondary issues with product stability. In a recent report, we have used the total scattering… Read More TSPDF correlates variation in local structure with kinetic behavior in amorphous pharmaceutical formulations

Unraveling the cuprates: scientists demonstrate link between key components in high temperature superconductivity

A team led by researchers from Brookhaven National Laboratory (BNL) and Cornell University recently conducted a series of experiments which intimate a strong parental connection between the so called “electron density wave” phase and the “pseudo gap” phase, key components seen as responsible for superconductivity in high temperature superconductors. Led by Séamus Davis, a physicist… Read More Unraveling the cuprates: scientists demonstrate link between key components in high temperature superconductivity