Search Results - "Hoffman, Alexander E.J"
-
1
Engineering a Highly Defective Stable UiO-66 with Tunable Lewis- Brønsted Acidity: The Role of the Hemilabile Linker
Published in Journal of the American Chemical Society (12-02-2020)“…The stability of metal–organic frameworks (MOFs) typically decreases with an increasing number of defects, limiting the number of defects that can be created…”
Get full text
Journal Article -
2
A Supramolecular View on the Cooperative Role of Brønsted and Lewis Acid Sites in Zeolites for Methanol Conversion
Published in Journal of the American Chemical Society (18-09-2019)“…A systematic molecular level and spectroscopic investigation is presented to show the cooperative role of Brønsted acid and Lewis acid sites in zeolites for…”
Get full text
Journal Article -
3
Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH3–SCR–NO x ) Conditions
Published in The journal of physical chemistry letters (03-12-2020)“…The dynamic nature of the copper cations acting as active sites for selective catalytic reduction of nitrogen oxides with ammonia is investigated using a…”
Get full text
Journal Article -
4
A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials
Published in Journal of chemical theory and computation (23-01-2024)“…Vibrational spectroscopy is an omnipresent spectroscopic technique to characterize functional nanostructured materials such as zeolites, metal–organic…”
Get full text
Journal Article -
5
Elucidating the Vibrational Fingerprint of the Flexible Metal–Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach
Published in Journal of physical chemistry. C (08-02-2018)“…In this work, mid-infrared (mid-IR), far-IR, and Raman spectra are presented for the distinct (meta)stable phases of the flexible metal–organic framework…”
Get full text
Journal Article -
6
How Water and Ion Mobility Affect the NMR Fingerprints of the Hydrated JBW Zeolite: A Combined Computational‐Experimental Investigation
Published in Chemistry : a European journal (06-12-2022)“…An important aspect within zeolite synthesis is to make fully tunable framework materials with controlled aluminium distribution. A major challenge in…”
Get full text
Journal Article -
7
Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy
Published in APL materials (01-04-2023)“…Metal-halide perovskites (MHPs) exhibit excellent properties for application in optoelectronic devices. The bottleneck for their incorporation is the lack of…”
Get full text
Journal Article -
8
Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy: Implications for Gas Separation
Published in ACS applied nano materials (14-04-2023)“…Mixed-linker zeolitic imidazolate frameworks (ZIFs) are important candidate materials for gas separation. By changing the linker content, their pore size can…”
Get full text
Journal Article