Controlling product selectivity and catalyst lifetime by altering acid strength, cavity size of SAPO, and diffusion rate of methanol in the MTO reaction: DFT and MD calculations

Saeedeh Soheili and Ali Nakhaei Pour

Phys. Chem. Chem. Phys., 2024, 26, 5226
DOI: 10.1039/D3CP05455A

Multilevel quantum mechanical calculations show the role of promoter molecules in the dehydration of methanol to dimethyl ether in H-ZSM-5

Joe Crossley-Lewis, Josh Dunn, Isabel F. Hickman, Fiona Jackson, Glenn J. Sunley, Corneliu Buda, Adrian J. Mulholland and Neil L. Allan

Phys. Chem. Chem. Phys., 2024, 26, 16693
DOI: 10.1039/D3CP05987A

Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates

Pieter Cnudde, Michel Waroquier and Veronique Van Speybroeck

Catal. Sci. Technol., 2023, 13, 4857
DOI: 10.1039/D3CY00642E

Surface acidity as the decisive descriptor for hydroxyl-mediated hydrogen spillover in hydrogen isotope exchange

Hongbing Wang, Qiongdan Zhang, Xiaolin Zhou, Linsen Zhou, Wei Cui, Xiaoke Li, Peilong Li and Yifei Yang

Chem. Commun., 2025, 61, 17906
DOI: 10.1039/D5CC04894J

Advances and challenges in designing active site environments in zeolites for Brønsted acid catalysis

Sopuruchukwu Ezenwa and Rajamani Gounder

Chem. Commun., 2024, 60, 12118
DOI: 10.1039/D4CC04728A

Aromatic aldehydes as tuneable and ppm level potent promoters for zeolite catalysed methanol dehydration to DME

Zhiqiang Yang, Benjamin J. Dennis-Smither, Corneliu Buda, Amie Easey, Fiona Jackson, Gregory A. Price, Neil Sainty, Xingzhi Tan, Zhuoran Xu and Glenn J. Sunley

Catal. Sci. Technol., 2023, 13, 3590
DOI: 10.1039/D3CY00105A

Consequences of altering acid strength in MFI zeolites via phosphorus modification on Friedel-Crafts acylation

Ismaeel Alalq, Ana Carolina Jerdy, Huy Nguyen-Phu, Anya Zornes, Matt Wulfers, Dan Nielsen, Daniel Resasco, Jeffery L. White and Steven Crossley

Journal of Catalysis, 2025, 447, 116096
DOI: 10.1016/j.jcat.2025.116096

Recent Advances in Catalytic Confinement Effect within Micro/Meso‐Porous Crystalline Materials

Jingjing Dai and Hongbo Zhang

Small, 2021, 17
DOI: 10.1002/smll.202005334

Machine Learning Prediction of Transition-State Energies in Small-Pore Zeolites Combining Acidity and Topology Descriptors

Yunlei Chen, Wende Hu, Xin Li, Chuanming Wang and Weimin Yang

J. Phys. Chem. C, 2024, 128, 3770
DOI: 10.1021/acs.jpcc.4c00082

Acid Catalysis Mediated by Aqueous Hydronium Ions Formed by Contacting Zeolite Crystals with Liquid Water

Yue Liu, Chen Luo, Shuai Wang, Enrique Iglesia and Haichao Liu

J. Am. Chem. Soc., 2024, 146, 35185
DOI: 10.1021/jacs.4c11705

Inhibition of Mitochondrial ATP Synthesis and Regulation of Oxidative Stress Based on {SbW8O30} Determined by Single‐Cell Proteomics Analysis

Lige Gong, Wenqiao Ding, Ying Chen, Kai Yu, Changhong Guo and Baibin Zhou

Angew Chem Int Ed, 2021, 60, 8344
DOI: 10.1002/anie.202100297

Comparative Study of Adsorbed Complexes inside Pores and Cavities of Acid Zeolites with Different Topology: Experimental and Theoretical Insights into Confinement Effects

Gonzalo David Romero Ojeda, Glaucio José Gomes, Paulo Rodrigo Stival Bittencourt, Sebastian E. Collins, Marta V. Bosco, Nélida María Peruchena and María Fernanda Zalazar

J. Phys. Chem. C, 2024, 128, 7137
DOI: 10.1021/acs.jpcc.4c01628

Inhibition of Mitochondrial ATP Synthesis and Regulation of Oxidative Stress Based on {SbW8O30} Determined by Single‐Cell Proteomics Analysis

Lige Gong, Wenqiao Ding, Ying Chen, Kai Yu, Changhong Guo and Baibin Zhou

Angewandte Chemie, 2021, 133, 8425
DOI: 10.1002/ange.202100297

Confinement Effect and Application in Catalytic Oxidation–Reduction Reaction of Confined Single-Atom Catalysts

Xiu Fan, Donghao Li, Yuanxiang Shu, Yimeng Feng and Fengxiang Li

ACS Catal., 2024, 14, 12991
DOI: 10.1021/acscatal.4c02113

Cation Effects on the Brønsted Acidity of Solid Tungstosilicic Acid Clusters

Guangming Cai, Prashant Deshlahra and Ya-Huei Cathy Chin

ACS Catal., 2024, 14, 14819
DOI: 10.1021/acscatal.4c03233

The key role of adsorbate-catalyst interactions into catalytic activity of [CTA+]-Si-MCM-41 from electron density analysis

Clara Iris Aymará Alegre, Bárbara Bulhões Cazula, Helton José Alves, María Fernanda Zalazar and Nélida M. Peruchena

Molecular Catalysis, 2021, 504, 111472
DOI: 10.1016/j.mcat.2021.111472

Interplay of solvent and metal identity determines rates and stereoselectivities in M(IV)-Beta-catalyzed intramolecular Prins cyclization of citronellal

Shugang Sun, Yang Zhu, Letian Hong, Xuebing Li, Yu Gu and Hui Shi

Chinese Journal of Catalysis, 2024, 66, 233
DOI: 10.1016/S1872-2067(24)60122-1

Rationalizing Solvent Effect in Bro̷nsted Acid-Catalyzed C–O Scission: A Thermodynamically Consistent Framework with Assessable Descriptors

Junfeng Guo and Ya-Huei Cathy Chin

ACS Catal., 2025, 15, 19040
DOI: 10.1021/acscatal.5c04772

Kinetics of Heterogeneous Single‐Site Catalysis

Dmitry Yu. Murzin

ChemCatChem, 2023, 15
DOI: 10.1002/cctc.202201082

Catalytic Consequences of Protons in Methanol Oxidative Dehydrogenation on Molybdenum-Based Polyoxometalate Clusters

Guangming Cai and Ya-Huei Cathy Chin

ACS Catal., 2024, 14, 6674
DOI: 10.1021/acscatal.4c00440

Catalytic Sequences and Kinetic Requirements for C–O Bond Scission and Formation in Methanol and Trioxane on Solid Polyoxometalate Clusters

Guangming Cai and Ya-Huei Cathy Chin

ACS Catal., 2023, 13, 14828
DOI: 10.1021/acscatal.3c01758

Metal tri-phosphonates containing aliphatic tertiary amines for medium-temperature proton conduction

Zihan Xia, Hui Ding, Yan Wang, Peng Sun, Zhongfang Li, Hui Guo, Hongsen Hui and Lei Zhang

International Journal of Hydrogen Energy, 2022, 47, 27590
DOI: 10.1016/j.ijhydene.2022.06.070

Solvent Mediated Interactions on Alkene Epoxidations in Ti-MFI: Effects of Solvent Identity and Silanol Density

Chris Torres, David S. Potts and David W. Flaherty

ACS Catal., 2023, 13, 8925
DOI: 10.1021/acscatal.3c01073

Cooperative Interplay of Micropores/Mesopores of Hierarchical Zeolite in Chemical Production

Susung Lee, Younghwan Park and Minkee Choi

ACS Catal., 2024, 14, 2031
DOI: 10.1021/acscatal.3c05170

Nanosized “rice ball” like hierarchical beta zeolites with inter-crystalline mesopores for efficient catalytic synthesis of lactide

Xue-Juan Chen, Xi Hong, Bing Zhan and Xiu-Feng Hou

Microporous and Mesoporous Materials, 2024, 378, 113250
DOI: 10.1016/j.micromeso.2024.113250

Role of Chiral Skeleton in Chiral Phosphoric Acids Catalyzed Asymmetric Transfer Hydrogenation: A DFT Study

Xu Li, Shanshan Dong, Ting Fan, Qingji Wang and Tongfei Shi

Catalysts, 2023, 13, 98
DOI: 10.3390/catal13010098

DFT study on zeolites’ intrinsic Brønsted acidity: The case of BEA

Laura Gueci, Francesco Ferrante, Marco Bertini, Chiara Nania and Dario Duca

Computational Materials Science, 2024, 232, 112687
DOI: 10.1016/j.commatsci.2023.112687

Pairing Ga/Al-Zeolites with tailored acidity as tandem catalysts for the conversion of alcohols to olefins

Amir Abutalib, Deependra Parmar, Jaeyul Kim and Jeffrey D. Rimer

Journal of Catalysis, 2024, 433, 115466
DOI: 10.1016/j.jcat.2024.115466

Mechanistic origin of transition metal modification on ZSM-5 zeolite for the ethylene yield enhancement from the primary products of n-octane cracking

Lixia Wang, Bo Peng, Aiguo Zheng, Ye Song, Qiuqiao Jiang, Peng Wang, Haitao Song, Wei Lin and Mingyuan He

Journal of Catalysis, 2022, 416, 387
DOI: 10.1016/j.jcat.2022.11.010

Thermochemical Correlations of Redox and Brønsted Sites on Bifunctional Polyoxometalate Clusters and Their Kinetic Consequences in Methanol-O2 Catalysis

Guangming Cai and Ya-Huei Cathy Chin

ACS Catal., 2024, 14, 17760
DOI: 10.1021/acscatal.4c04745

Toward the Mechanism of o-Xylene Isomerization in Selected Zeolites of Different Si/Al Ratios and Channel Sizes—Experiment Corroborated by Periodic DFT + D Simulations

Gabriela Jajko, Karolina Tarach, Kinga Góra-Marek, Paweł Kozyra and Witold Piskorz

J. Phys. Chem. C, 2021, 125, 10334
DOI: 10.1021/acs.jpcc.1c01307

What Is Being Measured with P-Bearing NMR Probe Molecules Adsorbed on Zeolites?

Carlos Bornes, Michael Fischer, Jeffrey A. Amelse, Carlos F. G. C. Geraldes, João Rocha and Luís Mafra

J. Am. Chem. Soc., 2021, 143, 13616
DOI: 10.1021/jacs.1c05014

Catalytic production and application of bio-renewable butyl butyrate as jet fuel blend- A review

Nidhi Kushwaha, Debarun Banerjee, Khwaja Alamgir Ahmad, Nagaraj P. Shetti, Tejraj M. Aminabhavi, Kamal K. Pant and Ejaz Ahmad

Journal of Environmental Management, 2022, 310, 114772
DOI: 10.1016/j.jenvman.2022.114772

Theoretical Assessment of the Mechanism and Active Sites in Alkene Dimerization on Ni Monomers Grafted onto Aluminosilicates: (Ni–OH)+ Centers and C–C Coupling Mediated by Lewis Acid–Base Pairs

Nicholas R. Jaegers and Enrique Iglesia

J. Am. Chem. Soc., 2023, 145, 6349
DOI: 10.1021/jacs.2c13487

Brønsted Acid Strength Does Not Change for Bulk and External Sites of MFI Except for Al Substitution Where Silanol Groups Form

Haliey Balcom, Alexander J. Hoffman, Huston Locht and David Hibbitts

ACS Catal., 2023, 13, 4470
DOI: 10.1021/acscatal.3c00076

Unveiling the mechanisms of carboxylic acid esterification on acid zeolites for biomass-to-energy: A review of the catalytic process through experimental and computational studies

Glaucio José Gomes, María Fernanda Zalazar, Janine Carvalho Padilha, Michelle Budke Costa, Claudio Leones Bazzi and Pedro Augusto Arroyo

Chemosphere, 2024, 349, 140879
DOI: 10.1016/j.chemosphere.2023.140879

Functional Assessment of the Lewis Acid Strength of Structurally Complex Solid Acids

William Thomas Broomhead and Ya-Huei Cathy Chin

ACS Catal., 2024, 14, 2235
DOI: 10.1021/acscatal.3c04931

Fluorination modulates the interaction of water with MgO catalysts during propylene glycol dehydrogenation

Song Tian, Jian Lu and Jimmy A. Faria Albanese

Journal of Catalysis, 2025, 448, 116167
DOI: 10.1016/j.jcat.2025.116167

Nanoconfinement Effects in Electrocatalysis and Photocatalysis

Chuanbiao Bie, Jindi Yang, Xiangkang Zeng, Zhuyuan Wang, Xin Sun, Zhe Yang, Jiaguo Yu and Xiwang Zhang

Small, 2025, 21
DOI: 10.1002/smll.202411184

Correlation of Brønsted acid strengths and species substituted Si in ZSM-5 and their effects on propylene polymerization in MTA reaction

Panyue Liu, Jiale Han, Lixia Ling, Xiaohua Shen, Ping Liu, Riguang Zhang and Baojun Wang

Microporous and Mesoporous Materials, 2023, 347, 112346
DOI: 10.1016/j.micromeso.2022.112346

Ion-Sieve-Confined Synthesis of Size-Tunable Ru for Electrochemical Hydrogen Evolution

Song Liang, Chenlong Dong, Ce Zhou, Ruiqi Wang and Fuqiang Huang

Nano Lett., 2024, 24, 757
DOI: 10.1021/acs.nanolett.3c04419

Catalytic improvement of biomass conversion: Effect of adding mesoporosity on MOR zeolite for esterification with oleic acid

Glaucio J. Gomes, Michelle Budke Costa, Paulo R.S. Bittencourt, María Fernanda Zalazar and Pedro A. Arroyo

Renewable Energy, 2021, 178, 1
DOI: 10.1016/j.renene.2021.06.030

A Career in Catalysis: Enrique Iglesia

David G. Barton, Aditya Bhan, Prashant Deshlahra, Rajamani Gounder, David Hibbitts, Beata A. Kilos, Gina Noh, Justin M. Notestein, Michele L. Sarazen and Stuart L. Soled

ACS Catal., 2024, 14, 10583
DOI: 10.1021/acscatal.4c02557