Results 201 to 210 of about 228,350 (274)

In Situ EC‐EPR Spectroscopy and DFT Analysis of HUPD on Polycrystalline Pt

open access: yesChemSusChem, Volume 19, Issue 5, 13 March 2026.
Electrochemical electron paramagnetic resonance (EC‐EPR) spectroscopy provides a more comprehensive view of hydrogen adsorption modes on polycrystalline Pt within HUPD potentials. The results rule out bridge‐site adsorption, consistent with the accompanying ab initio molecular dynamics (AIMD) simulation of a high‐coverage Pt surface.
Rainer Götz   +11 more
wiley   +1 more source

Encapsulated Non‐Exchangeable Na+ Ions Determining the Upper Limit of Al Inclusion in FAU—A Multiscale Simulation

open access: yesAngewandte Chemie, Volume 138, Issue 11, 9 March 2026.
DFT computation, AIMD simulations, machine learning, statistical analysis, and experimental characterization reveal that the upper limit of Al inclusion in FAU zeolite synthesized under hydrothermal conditions is determined by the encapsulated non‐exchangeable Na+ ions.
Qi Dong   +8 more
wiley   +1 more source

Ethane Chlorination Toward Vinyl Chloride Synthesis: Mechanistic and Catalytic Perspectives

open access: yesAngewandte Chemie, Volume 138, Issue 10, 2 March 2026.
Ethane chlorination is emerging as a promising low‐carbon route to vinyl chloride monomer, yet it remains academically underexplored due to the complexity of radical chemistry. As the first focused Minireview on this topic, it offers forward‐looking mechanistic analysis, unveils catalyst evolution pathways, and defines research priorities to accelerate
Xia Wu   +6 more
wiley   +1 more source

Physicochemical Properties of Mechanochemical Activated HZSM‑5 Zeolite for Thermocatalytic Pyrolysis of Polypropylene. [PDF]

open access: yesACS Omega
A C Queiroz PF   +6 more
europepmc   +1 more source

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