Atomic Structure Analysis of Nanocrystalline Boehmite AlO(OH)

Structure of nanocrystalline Ti3C2 MXene using atomic pair distribution function.

The structures of nanocrystalline pristine, potassium hydroxide and sodium acetate intercalated new two-dimensional materials Ti3C2 MXenes were studied using the x-ray atomic pair distribution function technique. Pristine MXene has a hexagonal structure with a=b=3.0505(5)  Å, c=19.86(2)  Å (S.G. P63/mmc No. 194). Both hydroxyl and fluoride terminating species are present. The intercalation of K...

Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2

V. Petkov, S. J. L. Billinge, P. Larson, S. D. Mahanti, T. Vogt, K. K. Rangan, and M. G. Kanatzidis Department of Physics and Astronomy and Center for Fundamental Materials Research, Michigan State University, East Lansing, Michigan 48824 Physics Department, Brookhaven National Laboratory, Upton, New York 11973 Department of Chemistry and Center for Fundamental Materials Research, Michigan Stat...

Structure of nanocrystalline MgFe2O4 from X-ray diffraction, Rietveld and atomic pair distribution function analysis

Dipole tensor-based atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR.

Magic-angle spinning (MAS) solid-state NMR (SSNMR) techniques have emerged in recent years for solving complete structures of uniformly labeled proteins lacking macroscopic order. Strategies used thus far have relied primarily on semiquantitative distance restraints, analogous to the nuclear Overhauser effect (NOE) routinely used in solution NMR. Here, we present a complementary approach for us...

Atomic-scale structure of nanocrystalline CeO2–ZrO2 oxides by total x-ray diffraction and pair distribution function analysis

Total x-ray diffraction and atomic pair distribution function analysis have been used to determine the atomic ordering in nanocrystalline (∼1.5 nm in size) CeO2–ZrO2 prepared by a sol–gel route. Experimental data show that the oxides are a structurally and chemically inhomogeneous mixture of nanoscale domains with cubic-type and monoclinic-type atomic ordering, predominantly occupied by Ce and ...