An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of α-AlF3nanoparticles

Santanu Chaudhuri, Peter Chupas, Benjamin J. Morgan, Paul A. Madden and Clare P. Grey

Phys. Chem. Chem. Phys., 2006, 8, 5045
DOI: 10.1039/B604750E

The use of multiple probe molecules for the study of the acid–base properties of aluminium hydroxyfluoride having the hexagonal tungsten bronze structure: FTIR and [36Cl] radiotracer studies

Damien Dambournet, Hervé Leclerc, Alexandre Vimont, Jean-Claude Lavalley, Mahmood Nickkho-Amiry, Marco Daturi and John M. Winfield

Phys. Chem. Chem. Phys., 2009, 11, 1369
DOI: 10.1039/b811691a

Electronic structure of Lewis acid sites on high surface area aluminium fluorides: a combined XPS and ab initio investigation

Anna Makarowicz, Christine L. Bailey, Norbert Weiher, Erhard Kemnitz, Sven L. M. Schroeder, Sanghamitra Mukhopadhyay, Adrian Wander, Barry G. Searle and Nicholas M. Harrison

Phys. Chem. Chem. Phys., 2009, 11, 5664
DOI: 10.1039/b821484k

Adsorption of HF and HCl on the β-AlF3 (100) surface

C. L. Bailey, A. Wander, S. Mukhopadhyay, B. G. Searle and N. M. Harrison

Phys. Chem. Chem. Phys., 2008, 10, 2918
DOI: 10.1039/b718733e

Reactivity of the β-AlF3(100) surface: defects, fluorine mobility and catalysis of the CCl2F2 dismutation reaction

C. L. Bailey, S. Mukhopadhyay, A. Wander, B. G. Searle, J. M. Carr and N. M. Harrison

Phys. Chem. Chem. Phys., 2010, 12, 6124
DOI: 10.1039/b920542j

Ab initio studies of aluminium fluoride surfaces

A. Wander, C. L. Bailey, S. Mukhopadhyay, B. G. Searle and N. M. Harrison

J. Mater. Chem., 2006, 16, 1906
DOI: 10.1039/b600273k

F K-edge X-ray absorption near-edge structure (XANES) of AlF3 polymorphs: combining ab initio calculations with Walsh correlation diagrams

Sven L. M. Schroeder and Norbert Weiher

Phys. Chem. Chem. Phys., 2006, 8, 1807
DOI: 10.1039/b518124k

Steps, Microfacets, and Crystal Morphology: An ab Initio Study of β-AlF3Surfaces

A. Wander, C. L. Bailey, S. Mukhopadhyay, B. G. Searle and N. M. Harrison

J. Phys. Chem. C, 2008, 112, 6515
DOI: 10.1021/jp710433n

First principles characterisation of aluminium trifluoride catalysts

C L Bailey, S Mukhopadhyay, A Wander, B G Searle and N M Harrison

J. Phys.: Conf. Ser., 2008, 117, 012004
DOI: 10.1088/1742-6596/117/1/012004

Rational design of 3D hierarchical MXene@AlF3/Ni(OH)2 nanohybrid for high-performance lithium-sulfur batteries

Caiying Wen, Xingzi Zheng, Xingyu Li, Mengwei Yuan, Huifeng Li and Genban Sun

Chemical Engineering Journal, 2021, 409, 128102
DOI: 10.1016/j.cej.2020.128102

Stability of the AlF3 surface in H2O and HF environments: An investigation using hybrid density functional theory and atomistic thermodynamics

S. Mukhopadhyay, C.L. Bailey, A. Wander, B.G. Searle, C.A. Muryn, S.L.M. Schroeder, R. Lindsay, N. Weiher and N.M. Harrison

Surface Science, 2007, 601, 4433
DOI: 10.1016/j.susc.2007.04.231

Formation of AlFx Gaseous Phases during High Temperature Etching: A Reactive Force Field Based Molecular Dynamics Study

Yongli Liu, Yang Qi, Xianwei Hu and Adri C. T. van Duin

J. Phys. Chem. C, 2019, 123, 16823
DOI: 10.1021/acs.jpcc.9b03957

Reverting fluoroform back to chlorodifluoromethane and dichlorofluoromethane: Intermolecular Cl/F exchange with chloroform at moderate temperatures

Wenfeng Han, Jinchao Wang, Lulu Chen, Luteng Yang, Shucheng Wang, Miao Xi, Haodong Tang, Wucan Liu, Weiyu Song, Jianjun Zhang, Ying Li and Huazhang Liu

Chemical Engineering Journal, 2019, 355, 594
DOI: 10.1016/j.cej.2018.08.135

Atomic Layer Deposition of Metal Fluorides Using HF–Pyridine as the Fluorine Precursor

Younghee Lee, Huaxing Sun, Matthias J. Young and Steven M. George

Chem. Mater., 2016, 28, 2022
DOI: 10.1021/acs.chemmater.5b04360

Non-aqueous sol–gel synthesis of nano-structured metal fluorides

Stephan Rüdiger, Udo Groß and Erhard Kemnitz

Journal of Fluorine Chemistry, 2007, 128, 353
DOI: 10.1016/j.jfluchem.2006.11.006

Aluminum Chloride as a Solid Is Not a Strong Lewis Acid

J. Krishna Murthy, Udo Gross, Stephan Rüdiger, V. Venkat Rao, V. Vijaya Kumar, A. Wander, C. L. Bailey, N. M. Harrison and Erhard Kemnitz

J. Phys. Chem. B, 2006, 110, 8314
DOI: 10.1021/jp0601419

Determination of the Acidity of High Surface AlF3 by IR Spectroscopy of Adsorbed CO Probe Molecules

Thoralf Krahl, Alexandre Vimont, Gehan Eltanany, Marco Daturi and Erhard Kemnitz

J. Phys. Chem. C, 2007, 111, 18317
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Temperature-Dependent Halogen-Exchange Activity Studies of Zeolite-Derived Aluminum Trifluoride

Evan K. L. Y. Hajime, James L. Delattre and Angelica M. Stacy

Chem. Mater., 2007, 19, 894
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Vibrational Analysis Study of Aluminum Trifluoride Phases

Udo Gross, Stephan Rüdiger, Erhard Kemnitz, Klaus-Werner Brzezinka, Sanghamitra Mukhopadhyay, Christine Bailey, Adrian Wander and Nicholas Harrison

J. Phys. Chem. A, 2007, 111, 5813
DOI: 10.1021/jp072388r

Characterization of Lewis acid sites on the (100) surface of β-AlF3: Ab initio calculations of NH3 adsorption

C. L. Bailey, A. Wander, S. Mukhopadhyay, B. G. Searle and N. M. Harrison

The Journal of Chemical Physics, 2008, 128
DOI: 10.1063/1.2933523

The very strong solid Lewis acids aluminium chlorofluoride (ACF) and bromofluoride (ABF)—Synthesis, structure, and Lewis acidity

Thoralf Krahl and Erhard Kemnitz

Journal of Fluorine Chemistry, 2006, 127, 663
DOI: 10.1016/j.jfluchem.2006.02.015

Nanostructured Aluminium Hydroxyfluorides Derived from β-AlF3

Damien Dambournet, Alain Demourgues, Charlotte Martineau, Stanislas Pechev, Jérôme Lhoste, Jérôme Majimel, Alexandre Vimont, Jean-Claude Lavalley, Christophe Legein, Jean-Yves Buzaré, Franck Fayon and Alain Tressaud

Chem. Mater., 2008, 20, 1459
DOI: 10.1021/cm702603b

Investigating the Lewis acidity of aluminium fluoride surfaces

C L Bailey, S Mukhopadhyay, A Wander and N M Harrison

J. Phys.: Conf. Ser., 2008, 100, 012009
DOI: 10.1088/1742-6596/100/1/012009

Nanostructured Al-based Fluoride-Oxide Materials with a Core-Shell Morphology

Damien Dambournet, Alain Demourgues, Charlotte Martineau, Jérôme Majimel, Michael Feist, Christophe Legein, Jean-Yves Buzaré, Franck Fayon and Alain Tressaud

J. Phys. Chem. C, 2008, 112, 12374
DOI: 10.1021/jp801310e

Molecular fluorinated alumoxanes: One step towards well-defined fluorinated alumina

Sandra González-Gallardo, Vojtech Jancik, Ma. de las Nieves Zavala-Segovia and Mónica Moya-Cabrera

Inorganic Chemistry Communications, 2010, 13, 543
DOI: 10.1016/j.inoche.2010.01.033

Mechanism of Thermal Al2O3 Atomic Layer Etching Using Sequential Reactions with Sn(acac)2 and HF

Younghee Lee, Jaime W. DuMont and Steven M. George

Chem. Mater., 2015, 27, 3648
DOI: 10.1021/acs.chemmater.5b00300

Experimental and DFT Mechanistic Study of Dehydrohalogenation of 1-Chloro-1,1-difluoroethane over Metal Fluorides

Wenfeng Han, Bing Liu, Yikun Kang, Zhikun Wang, Wei Yu, Hong Yang, Yongnan Liu, Jiaqin Lu, Haodong Tang, Ying Li and Weiyu Song

Ind. Eng. Chem. Res., 2019, 58, 18149
DOI: 10.1021/acs.iecr.9b03976