Structural analysis of molecular materials using the pair distribution function

MW Terban, SJL Billinge - Chemical Reviews, 2021 - ACS Publications
This is a review of atomic pair distribution function (PDF) analysis as applied to the study of
molecular materials. The PDF method is a powerful approach to study short-and …

Spatial and temporal analysis of sodium-ion batteries

D Hou, D **a, E Gabriel, JA Russell, K Graff… - ACS Energy …, 2021 - ACS Publications
As a promising alternative to the market-leading lithium-ion batteries, low-cost sodium-ion
batteries (SIBs) are attractive for applications such as large-scale electrical energy storage …

2D molybdenum and vanadium nitrides synthesized by ammoniation of 2D transition metal carbides (MXenes)

P Urbankowski, B Anasori, K Hantanasirisakul, L Yang… - Nanoscale, 2017 - pubs.rsc.org
MXenes are a rapidly growing class of 2D transition metal carbides and nitrides, finding
applications in fields ranging from energy storage to electromagnetic interference shielding …

Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

B Anasori, C Shi, EJ Moon, Y **e, CA Voigt… - Nanoscale …, 2016 - pubs.rsc.org
In this study, a transition from metallic to semiconducting-like behavior has been
demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with …

Nature of activated manganese oxide for oxygen evolution

M Huynh, C Shi, SJL Billinge… - Journal of the American …, 2015 - ACS Publications
Electrodeposited manganese oxide films (MnOx) are promising stable oxygen evolution
catalysts. They are able to catalyze the oxygen evolution reaction in acidic solutions but with …

The rise of the X-ray atomic pair distribution function method: a series of fortunate events

SJL Billinge - … Transactions of the Royal Society A, 2019 - royalsocietypublishing.org
The atomic pair distribution function (PDF) technique is a powerful approach to gain
quantitative insight into the structure of materials where the structural coherence extends …

Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems

P Juhás, C Farrow, X Yang, K Knox… - Foundations of …, 2015 - journals.iucr.org
A strategy is described for regularizing ill posed structure and nanostructure scattering
inverse problems (ie structure solution) from complex material structures. This paper …

Reactivity of surface species in heterogeneous catalysts probed by in situ X-ray absorption techniques

S Bordiga, E Groppo, G Agostini… - Chemical …, 2013 - ACS Publications
Starting from the late seventies, the progressively increased availability of synchrotron light
sources allowed the execution of experiments requiring a high X-ray flux in a continuous …

Deciphering photoinduced catalytic reaction mechanisms in natural and artificial photosynthetic systems on multiple temporal and spatial scales using X-ray probes

LX Chen, J Yano - Chemical Reviews, 2024 - ACS Publications
Utilization of renewable energies for catalytically generating value-added chemicals is
highly desirable in this era of rising energy demands and climate change impacts. Artificial …

The General Utility Lattice Program (GULP)

JD Gale, AL Rohl - Molecular Simulation, 2003 - Taylor & Francis
The General Utility Lattice Program (gulp) has been extended to include the ability to
simulate polymers and surfaces, as well as adding many other new features, and the current …