Structure of carbon materials explored by local transmission electron microscopy and global powder diffraction probes

K Jurkiewicz, M Pawlyta, A Burian - C, 2018 - mdpi.com
Transmission electron microscopy and neutron or X-ray diffraction are powerful techniques
available today for characterization of the structure of various carbon materials at nano and …

Structural modeling of porous carbons: constrained reverse Monte Carlo method

J Pikunic, C Clinard, N Cohaut, KE Gubbins, JM Guet… - Langmuir, 2003 - ACS Publications
We present a constrained reverse Monte Carlo method for structural modeling of porous
carbons. As in the original reverse Monte Carlo method, the procedure is to stochastically …

Glass transition temperature of functionalized graphene epoxy composites using molecular dynamics simulation

A Yadav, A Kumar, PK Singh, K Sharma - Integrated Ferroelectrics, 2018 - Taylor & Francis
Molecular Dynamics (MD) simulations were carried out to investigate the effect of
functionalization of graphene on glass transition temperature (Tg) of epoxy composites were …

Structural studies of carbons by neutron and x-ray scattering

A Burian, JC Dore, K Jurkiewicz - Reports on Progress in Physics, 2018 - iopscience.iop.org
Carbon can have many different forms and the characterisation of structural features on a
length scale of 1 Å to 10 μm is important in defining its physical and chemical properties for …

Shear-induced anisotropic plastic flow from body-centred-cubic tantalum before melting

CJ Wu, P Söderlind, JN Glosli, JE Klepeis - Nature Materials, 2009 - nature.com
There are many structural and optical similarities between a liquid and a plastic flow. Thus, it
is non-trivial to distinguish between them at high pressures and temperatures, and a …

Molecular modeling of adsorption in activated carbon: comparison of Monte Carlo simulations with experiment

JC Liu, PA Monson - Adsorption, 2005 - Springer
Abstract We present Mont Carlo computer simulation results for a molecular model of fluids
adsorbed in porous carbon materials. The model carbon used is based on the platelet …

Reverse Monte Carlo studies of nanoporous carbon from TiC

P Zetterström, S Urbonaite, F Lindberg… - Journal of Physics …, 2005 - iopscience.iop.org
The structures of nanoporous carbon prepared by chlorination of TiC at five different
temperatures (700–1100 C) have been studied by means of reverse Monte Carlo modelling …

Microstructure of pyrocarbons from pair distribution function analysis using neutron diffraction

P Weisbecker, JM Leyssale, HE Fischer, V Honkimäki… - Carbon, 2012 - Elsevier
We present a microstructural investigation of two different pyrocarbons (PyCs), belonging
respectively to the rough laminar (RL) and smooth laminar (SL) families. The structure of the …

Development of catalysts for hydrogen production from hydrogen iodide decomposition in thermo-chemical water-splitting sulfur-iodine cycle: A review

A Singhania, AN Bhaskarwar - Catalysis Reviews, 2017 - Taylor & Francis
Hydrogen iodide (HI) decomposition is an important part of thermo-chemical water-splitting
sulfur-iodine (SI) cycle which can generate large amount of hydrogen without releasing …

Catalytic performance of different carbon materials for hydrogen production in sulfur–iodine thermochemical cycle

Y Zhang, R Wang, X Lin, Z Wang, J Liu, J Zhou… - Applied Catalysis B …, 2015 - Elsevier
This study examines four carbon materials through a series of characterization methods and
a hydrogen iodide (HI) decomposition test. Applying a traditional structure to carbon …