[HTML][HTML] Opportunities and challenges of low-carbon hydrogen via metallic membranes

S Liguori, K Kian, N Buggy, BH Anzelmo… - Progress in Energy and …, 2020‏ - Elsevier
Today, electricity & heat generation, transportation, and industrial sectors together produce
more than 80% of energy-related CO 2 emissions. Hydrogen may be used as an energy …

Isolated metal atom geometries as a strategy for selective heterogeneous hydrogenations

G Kyriakou, MB Boucher, AD Jewell, EA Lewis… - Science, 2012‏ - science.org
Facile dissociation of reactants and weak binding of intermediates are key requirements for
efficient and selective catalysis. However, these two variables are intimately linked in a way …

High-throughput experiments facilitate materials innovation: a review

YH Liu, ZH Hu, ZG Suo, LZ Hu, LY Feng… - Science China …, 2019‏ - Springer
Abstract Since the Material Genome Initiative (MGI) was proposed, high-throughput based
technology has been widely employed in various fields of materials science. As a theoretical …

Catalytic activity of single transition-metal atom doped in Cu (111) surface for heterogeneous hydrogenation

Q Fu, Y Luo - The Journal of Physical Chemistry C, 2013‏ - ACS Publications
Single-atom alloy (SAA) has been considered as an effective strategy to achieve excellent
catalytic performance toward heterogeneous hydrogenation. We have performed first …

Modeling segregation on AuPd (111) surfaces with density functional theory and Monte Carlo simulations

JR Boes, JR Kitchin - The Journal of Physical Chemistry C, 2017‏ - ACS Publications
The simulation of segregation in multicomponent alloy surfaces is challenging with atomistic
approaches because of the need to model a very large number of possible configurations …

Hydrogen-driven surface segregation in Pd alloys from atomic-scale simulations

P Ekborg-Tanner, P Erhart - The Journal of Physical Chemistry C, 2021‏ - ACS Publications
The safe widespread application of hydrogen-based fuels requires sensors that are long-
term stable, inexpensive, hydrogen-specific, and have a short response time. In this regard …

Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst

X Cao, Q Fu, Y Luo - Physical Chemistry Chemical Physics, 2014‏ - pubs.rsc.org
The single atom alloy of extended surfaces is known to provide remarkably enhanced
catalytic performance toward heterogeneous hydrogenation. Here we demonstrate from first …

Simulating segregation in a ternary Cu–Pd–Au alloy with density functional theory, machine learning, and Monte Carlo simulations

Y Yang, Z Guo, AJ Gellman… - The Journal of Physical …, 2022‏ - ACS Publications
Simulation of the segregation profile of multicomponent alloys is important to investigate the
catalytic properties of alloy catalysts. Density functional theory (DFT) is too expensive to use …

Actuating Liquid Crystals Rapidly and Reversibly by Using Chemical Catalysis

H Yu, JI Gold, TJ Wolter, N Bao, E Smith… - Advanced …, 2024‏ - Wiley Online Library
Microtubules and catalytic motor proteins underlie the microscale actuation of living
materials, and they have been used in reconstituted systems to harness chemical energy to …

Continuous composition spread using pulsed-laser deposition with a single segmented target

H von Wenckstern, Z Zhang, F Schmidt, J Lenzner… - …, 2013‏ - pubs.rsc.org
The exploration and optimization of new material classes have been considerably
accelerated and made highly efficient by combinatorial methods. Concerning thin film …