Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces

por Chaudhuri, Shayantan, Logsdail, Andrew J., Maurer, Reinhard J.
Publicado 2023

Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials

por Beynon, Owain T., Owens, Alun, Carbogno, Christian, Logsdail, Andrew J.
Publicado 2023

Dehydrogenation and dehydration of formic acid over orthorhombic molybdenum carbide

por Agrawal, Kushagra, Roldan, Alberto, Kishore, Nanda, Logsdail, Andrew J.
Publicado 2022

Computational Study of the Solid-State Incorporation of Sn(II) Acetate into Zeolite β

por Beynon, Owain T., Owens, Alun, Tarantino, Giulia, Hammond, Ceri, Logsdail, Andrew J.
Publicado 2023

Methanol loading dependent methoxylation in zeolite H-ZSM-5

por Matam, Santhosh K., Nastase, Stefan A. F., Logsdail, Andrew J., Richard. A Catlow, C.
Publicado 2020

Overgrowth of Rhodium on Gold Nanorods

por Chantry, Ruth L., Siriwatcharapiboon, Wilai, Horswell, Sarah L., Logsdail, Andrew J., Johnston, Roy L., Li, Z. Y.
Publicado 2012

Solid-State Structural Properties of Alloxazine Determined from Powder XRD Data in Conjunction with DFT-D Calculations and Solid-State NMR Spectroscopy: Unraveling the Tautomeric I...

por Smalley, Christopher J. H., Logsdail, Andrew J., Hughes, Colan E., Iuga, Dinu, Young, Mark T., Harris, Kenneth D. M.
Publicado 2021

A Selective Blocking Method To Control the Overgrowth of Pt on Au Nanorods

por Fennell, John, He, Dongsheng, Tanyi, Anicetus Muche, Logsdail, Andrew J., Johnston, Roy L., Li, Z. Y., Horswell, Sarah L.
Publicado 2013

Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations

por Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A., Logsdail, Andrew J.
Publicado 2020

Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts

por Sankar, Meenakshisundaram, He, Qian, Engel, Rebecca V., Sainna, Mala A., Logsdail, Andrew J., Roldan, Alberto, Willock, David J., Agarwal, Nishtha, Kiely, Christopher J., Hutchings, Graham J.
Publicado 2020

Heterogeneous Trimetallic Nanoparticles as Catalysts

por Crawley, James W. M., Gow, Isla E., Lawes, Naomi, Kowalec, Igor, Kabalan, Lara, Catlow, C. Richard A., Logsdail, Andrew J., Taylor, Stuart H., Dummer, Nicholas F., Hutchings, Graham J.
Publicado 2022

A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph o...

por Smalley, Christopher J. H., Hoskyns, Harriet E., Hughes, Colan E., Johnstone, Duncan N., Willhammar, Tom, Young, Mark T., Pickard, Christopher J., Logsdail, Andrew J., Midgley, Paul A., Harris, Kenneth D. M.
Publicado 2022

Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems

por Guan, Jingcheng, Lu, You, Sen, Kakali, Abdul Nasir, Jamal, Desmoutier, Alec W., Hou, Qing, Zhang, Xingfan, Logsdail, Andrew J., Dutta, Gargi, Beale, Andrew M., Strange, Richard W., Yong, Chin, Sherwood, Paul, Senn, Hans M., Catlow, C. Richard A., Keal, Thomas W., Sokol, Alexey A.
Publicado 2023