Small-pore zeolites: synthesis and catalysis

M Dusselier, ME Davis - Chemical reviews, 2018 - ACS Publications
In the past decade or so, small-pore zeolites have received greater attention than large-and
medium-pore molecular sieves that have historically dominated the literature. This is …

Computational predictions of energy materials using density functional theory

A Jain, Y Shin, KA Persson - Nature Reviews Materials, 2016 - nature.com
In the search for new functional materials, quantum mechanics is an exciting starting point.
The fundamental laws that govern the behaviour of electrons have the possibility, at the …

A priori control of zeolite phase competition and intergrowth with high-throughput simulations

D Schwalbe-Koda, S Kwon, C Paris, E Bello-Jurado… - Science, 2021 - science.org
Zeolites are versatile catalysts and molecular sieves with large topological diversity, but
managing phase competition in zeolite synthesis is an empirical, labor-intensive task. In this …

Cooperative and competitive occlusion of organic and inorganic structure-directing agents within chabazite zeolites influences their aluminum arrangement

JR Di Iorio, S Li, CB Jones, CT Nimlos… - Journal of the …, 2020 - ACS Publications
We combine experiment and theory to investigate the cooperation or competition between
organic and inorganic structure-directing agents (SDAs) for occupancy within microporous …

Design of an Organic Template for Synthesizing ITR Zeolites under Ge-Free Conditions

Y Ma, J Hu, K Fan, W Chen, S Han, Q Wu… - Journal of the …, 2023 - ACS Publications
Germanosilicate zeolites with various structures have been extensively synthesized, but the
syntheses of corresponding zeolite structures in the absence of germanium species remain …

Targeted synthesis of zeolites from calculated interaction between zeolite structure and organic template

Q Wu, H Luan, FS Xiao - National Science Review, 2022 - academic.oup.com
Zeolites, a class of silica-based porous materials, have been widely employed in the
chemical industry for uses such as sorption, separation, catalysis and ion exchange …

Methanol-to-olefins catalysis with hydrothermally treated zeolite SSZ-39

M Dusselier, MA Deimund, JE Schmidt, ME Davis - ACS Catalysis, 2015 - ACS Publications
Zeolite SSZ-39 is evaluated for catalyzing the methanol-to-olefins (MTO) reaction. By
steaming NH4–SSZ-39, Al can be removed from framework positions, resulting in an …

[HTML][HTML] Advances and perspectives from a decade of collaborative efforts on zeolites for selective catalytic reduction of NOx

PNR Vennestrøm, JR Thøgersen… - Microporous and …, 2023 - Elsevier
Nitrogen oxides (NO x) is a major air pollutant and its release is regulated by increasingly
stringent legislation. Selective catalytic reduction using ammonia as a reductant (NH 3-SCR) …

Machine-learning approach to the design of OSDAs for zeolite beta

F Daeyaert, F Ye, MW Deem - Proceedings of the National …, 2019 - National Acad Sciences
We report a machine-learning strategy for design of organic structure directing agents
(OSDAs) for zeolite beta. We use machine learning to replace a computationally expensive …

Recent progress in novel zeolite catalysts for selective catalytic reduction of nitrogen oxides

A Guo, H Liu, Y Li, Y Luo, D Ye, J Jiang, P Chen - Catalysis Today, 2023 - Elsevier
Selective catalytic reduction (SCR) using zeolite catalysts is a key technology for the
abatement of nitrogen oxides (NO x) from lean-burn heavy-duty vehicles. With the increasing …