Publication

Parametric Polytope Reconstruction, an Application to Crystal Shape Estimation

Publications associées (32)

Stochastic adaptive resampling for the estimation of discrete choice models

Michel Bierlaire, Nicola Marco Ortelli, Matthieu Marie Cochon de Lapparent

In the field of choice modeling, the availability of ever-larger datasets has the potential to significantly expand our understanding of human behavior, but this prospect is limited by the poor scalability of discrete choice models (DCMs): as sample sizes ...

2023

Magnetic structure of the two-dimensional XY antiferromagnet Sr2CoSi2O7 studied using single-crystal neutron diffraction

Bálint Náfrádi

We report a combined polarized and unpolarized neutron diffraction study on a multiferroic Sr2CoSi2O7 (SCSO) single crystal below and above the antiferromagnetic ordering temperature TN = 6.5 K. Unpolarized neutron diffraction measurements at 15 K confirm ...

AMER PHYSICAL SOC2023

Ion-Selective Scattering Studied Using the Variable-Energy Electron Irradiation in the Ba0.2K0.8Fe2As2 Superconductor

Yong Liu

Low-temperature variable-energy electron irradiation was used to induce non-magnetic disorder in a single crystal of a hole-doped iron-based superconductor, Ba1-xKxFe2As2, x = 0.80. To avoid systematic errors, the beam energy was adjusted non-consequently ...

MDPI2023

Structure analysis of beta dicalcium silicate via scanning transmission electron microscope (STEM)

Junying Zhao, Franco Alberto Zunino Sommariva, Qiao Wang, Chaoqi Shi

Beta-dicalcium silicate (beta-C2S), one of the main phases in Portland cement clinker, offers some promising overviews regarding CO2 and energy savings potential compared to alite. Understanding the crystalline structure and reactive sites on beta-C2S surf ...

ELSEVIER SCI LTD2022

New methods for structure determination and speciation by NMR crystallography

Martins Balodis

NMR crystallography has been around for half a century, but with the advent of NMR crystal structure determination protocols in the last decade it has shown perspectives that were not seen before. Amalgamation of NMR and crystal structure determination has ...

EPFL2022

Microfluidic study in a meter-long reactive path reveals how the medium’s structural heterogeneity shapes MICP-induced biocementation

Lyesse Laloui, Dimitrios Terzis, Ariadni Elmaloglou

Microbially induced calcium carbonate (CaCO3) precipitation (MICP) is one of the major sustainable alternatives to the artificial cementation of granular media. MICP consists of injecting the soil with bacterial- and calcium-rich solutions sequentially to ...

Nature Research2022

Facet Engineering for Stable, Efficient Perovskite Solar Cells

Michael Graetzel

Facet engineering is an important strategy for tuning the physical, chemical, and electronic properties of a crystal surface, and it also provides an effective route to improve the device performance in many fields. Complex crystal structures with rough mo ...

AMER CHEMICAL SOC2022

Electrochemically CO2 conversion using homogeneous and nanostructured heterogeneous Ru (II) electrocatalysts

Farzaneh Fadaei Tirani

The reduction of carbon dioxide to desirable products is an urgent goal in favour of the environment, the energy-cycle and mankind. We report the electrochemical reduction of CO2 to carbon monoxide by means of the ho-mogeneous electrocatalyst (1), [Ru(bpy) ...

ELSEVIER SCI LTD2022

Quantifying the Solution Structure of Metal Nanoclusters Using Small-Angle Neutron Scattering

Francesco Stellacci, Stefan Guldin, Zhi Luo, Ye Yang, Huayan Yang

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X-ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterizatio ...

Wiley-VCH Verlag GmbH2022

Synthesis and investigation of the thermal proper- ties of [Co(N H-3)(6)] [Co(C2O4)(3)]center dot 3H(2)O and [Ir(NH3)(6)][Ir(C2O4)(3)]

Ilia Kochetygov

The complexes [Co (NH3)(6)][Ir (C2O4)(3)] and [Ir(NH3)(6)][Co (C2O4)(3)center dot H2O have previously been synthesized and their thermal properties studied. The [Ir(NH3)(6)][Ir(C2O4)(3)] and [Co(NH3)(6)][Co(C2O4)(3)]center dot 3H(2)O complexes considered h ...

INT UNION CRYSTALLOGRAPHY2022

Fast Lead-Free Humidity Sensor Based on Hybrid Halide Perovskite

Dragan Damjanovic, László Forró, Alla Arakcheeva, Endre Horvath, Pavao Roko Andricevic, Márton Kollár, Trpimir Ivsic

An environmentally friendly analog of the prominent methylammonium lead halide perovskite, methylammonium bismuth bromide (MA3Bi2Br9), was prepared and investigated in the form of powder, single crystals and nanowires. Complete characterization via synchro ...

2022

An elementary treatment on the diffraction of crystalline structures

Gervais Chapuis

Although W. L. Bragg's law can be easily derived for beginners in the field of crystallography, its interpretation however seems to cause some difficulties which lies essentially in the relation between the concept of lattice planes and the unit cell const ...

2022