Heterogeneous catalysts for gas-phase conversion of ethylene to higher olefins

M Ghashghaee - Reviews in Chemical Engineering, 2018 - degruyter.com
The reduced availability of propylene and C4 products from steam crackers continues to
provoke on-purpose technologies for light olefins such that almost 30% of propylene in 2025 …

Geometric and electronic effects in hydrogenation reactions

S Mao, Z Wang, Q Luo, B Lu, Y Wang - ACS Catalysis, 2022 - ACS Publications
Selective hydrogenation has a long history of being an important reaction process for the
preparation of high-value chemicals. The geometric and electronic structures of the catalysts …

Effect of metal particle shape on hydrogen assisted reactions

P Mäki-Arvela, DY Murzin - Applied Catalysis A: General, 2021 - Elsevier
The effects of the metal particle size and shape (eg cubic, spherical, tetrahedral or
octahedral) on catalytic activity, selectivity and stability were elucidated in selective …

Toward computational screening of bimetallic alloys for methane activation: a Case Study of MgPt Alloy

M Yoshida, Y Tsuji, S Iguchi, H Nishiguchi… - ACS …, 2022 - ACS Publications
CH4 is the main component of natural gas; there is a need for heterogeneous catalysts that
can directly convert it into useful substances. On active metal surfaces, eg, Pt surfaces, CH4 …

Heterogeneous metal-free hydrogenation over defect-laden hexagonal boron nitride

DJ Nash, DT Restrepo, NS Parra, KE Giesler… - ACS …, 2016 - ACS Publications
Catalytic hydrogenation is an important process used for the production of everything from
foods to fuels. Current heterogeneous implementations of this process utilize metals as the …

Identifying magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage: a density functional theory based particle swarm …

Q Ma, H Zhu, D Liu, R Li, T Li, H Ren, W Zhao… - Catalysis Science & …, 2023 - pubs.rsc.org
Supported sub-nano Ni clusters are of great significance to many heterogeneous catalysis
applications. We conducted density functional theory based particle swarm optimization …

Tuning the acid–metal balance in Pd/and Pt/zeolite catalysts for the hydroalkylation of m-cresol

F Anaya, L Zhang, Q Tan, DE Resasco - Journal of Catalysis, 2015 - Elsevier
The liquid-phase hydroalkylation of m-cresol catalyzed by zeolite catalysts doped with noble
metals was investigated at 473 K and 5200 kPa of H 2. Metals (Pt and Pd) were incorporated …

Activation and Catalytic Dehydrogenation of Methane on Small Pdx+ and PdxO+ Clusters

SM Lang, A Frank, TM Bernhardt - The Journal of Physical …, 2013 - ACS Publications
The temperature-dependent adsorption as well as the possible activation and
dehydrogenation of methane mediated by small free palladium Pd x+(x= 2–4) and palladium …

Understanding the selectivity of methanol steam reforming on the (1 1 1) surfaces of NiZn, PdZn and PtZn: Insights from DFT

M Krajčí, AP Tsai, J Hafner - Journal of Catalysis, 2015 - Elsevier
This work is focused on better understanding of the origin of CO 2/CO selectivity of methanol
steam reforming (MSR) catalyzed by three isostructural (L1 0-type) intermetallic compounds …

The effect of shape-controlled Pt and Pd nanoparticles on selective catalytic hydrodechlorination of trichloroethylene

OY Sarıbıyık, C Weilach, S Serin, G Rupprechter - Catalysts, 2020 - mdpi.com
Tailoring the shape of nanoscale materials enables obtaining morphology-controlled
surfaces exhibiting specific interactions with reactants during catalytic reactions. The …