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Number of items: 122.

A

Abdul Nasir, Jamal, Guan, Jingcheng, Keal, Thomas W., Desmoutier, Alec W., Lu, You, Beale, Andrew M., Catlow, Charles

and Sokol, Alexey A. 2023. Influence of solvent on selective catalytic reduction of nitrogen oxides with ammonia over cu-cha zeolite. Journal of the American Chemical Society 145 , pp. 247-259. 10.1021/jacs.2c09823

Ahmad, Bello B., Davies, Philip R.

, Meenakshisundaram, Sankar

, Powell, Jessica and Toledo Camacho, Sandra 2023. Effect of alkali metal cations on the TiO2 P25 catalyst for hydrogen generation by the photoreforming of glycerol. ChemistrySelect 8 (48) , e202304301. 10.1002/slct.202304301

Al Sobhi, Samia, AlShibane, Ihfaf, Catlow, C. Richard A.

, Daisley, Angela, Hargreaves, Justin S. J., Hector, Andrew L., Higham, Michael D. and Zeinalipour‐Yazdi, Constantinos D. 2023. A Comparison of the reactivity of the lattice nitrogen in tungsten substituted Co3Mo3N and Ni2Mo3N. ChemSusChem 16 (22) , e202300945. 10.1002/cssc.202300945

Alharbi, Mashael, van Ingen, Yara, Roldan Martinez, Alberto

, Kaehler, Tanja and Melen, Rebecca

2023. Synthesis and Lewis acidity of fluorinated triaryl borates. Dalton Transactions 52 (6) , pp. 1820-1825. 10.1039/D2DT04095F

Allen, Lisa, Agote-Arán, Miren, Beale, Andrew M., Cong, Peixi, Mediavilla Madrigal, Sofia and Price, Stephen W.T. 2023. EXAFS studies of inorganic catalytic materials. Reedijk, Jan and Poeppelmeier, Kenneth R., eds. Comprehensive Inorganic Chemistry III, Elsevier, pp. 108-148. (10.1016/B978-0-12-823144-9.00158-8)

B

Baragau, Ioan-Alexandru, Buckeridge, John, Nguyen, Kiem, Heil, Tobias, Sajjad, Tariq, Thomson, Stuart A. J., Rennie, Alistair, Morgan, David John

, Power, Nicholas P, Nicolae, Sabina, Titirici, Maria-Magdalena, Dunn, Steven and Kellici, Suela 2023. Outstanding visible light photocatalysis by nano-TiO2 hybrids with nitrogen-doped carbon quantum dots and/or reduced graphene oxide. Journal of Materials Chemistry A: materials for energy and sustainability 11 (18) 10.1039/D2TA09586F

Basu, Shalmali, Das, Debashree, Morgan, David

, Hazra, Bibhas, Saha, Abhijit and Sen, Kamalika 2023. Green synthesis of copper iodide nanoparticles: gamma irradiation for spectroscopic sensing of cancer biomarker CA 19-9. Journal of Radioanalytical and Nuclear Chemistry 332 (9) , 3763–3778. 10.1007/s10967-023-09056-3
Item availability restricted.

Basu, Shalmali, Das, Debashree, Ansari, Zarina, Rana, Nabakumar, Majhi, Bhim, Patra, Dipendu, Kanungo, Ajay, Morgan, David

, Dutta, Sanjay and Sen, Kamalika 2023. A multispectroscopic approach for ultra-trace sensing of prostate specific antigen (PSA) by iron nanocomposite fabricated on graphene nanoplatelet. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 301 , 122955. 10.1016/j.saa.2023.122955
Item availability restricted.

Beevers, Cameron, Francis, Samantha and Roldan, Alberto

2023. Symmetry analysis of irregular objects. Journal of Mathematical Chemistry 10.1007/s10910-022-01423-x

Bellomi, Silvio, Barlocco, Ilaria, Tumiati, Simone, Fumagalli, Patrizia, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2023. Effect of oxygen functionalities on the hydrous hydrazine decomposition over carbonaceous materials. Dalton Transactions 52 (43) , pp. 15871-15877. 10.1039/D3DT02310A

Bellomi, Silvio, Barlocco, Ilaria, Chen, Xiaowei, Delgado, Juan J., Arrigo, Rosa, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2023. Enhanced stability of sub-nanometric Iridium decorated graphitic carbon nitride for H2 production upon hydrous hydrazine decomposition. Physical Chemistry Chemical Physics 25 (2) , pp. 1081-1095. 10.1039/D2CP04387D

Beynon, Owain T.

, Owens, Alun, Tarantino, Giulia, Hammond, Ceri

and Logsdail, Andrew J.

2023. Computational study of the solid-state incorporation of Sn(II) Acetate into Zeolite β. Journal of Physical Chemistry C 127 (38) , pp. 19072-19087. 10.1021/acs.jpcc.3c02679

Boruah, Tribani, Melen, Rebecca L.

and Wirth, Thomas

2023. Isodesmic metathesis chemistry: A novel way to recycle P(V). Chem Catalysis 3 (8) , 100731. 10.1016/j.checat.2023.100731
Item availability restricted.

Boucher, Alexandre, Jones, Glenn and Roldan Martinez, Alberto

2023. Toward a new definition of surface energy for late transition metals. Physical Chemistry Chemical Physics 25 (3) , pp. 1977-1986. 10.1039/D2CP04024G

Bousser, Etienne, Rogov, Aleksey, Shashkov, Pavel, Gholinia, Ali, Laugel, Nicolas, Slater, Thomas J. A.

, Withers, Philip J., Matthews, Allan and Yerokhin, Aleksey 2023. Phase transitions in alumina films during post-sparking anodising of Al alloys. Acta Materialia 244 , 118587. 10.1016/j.actamat.2022.118587

C

Cao, Jingxian, Lewis, Richard J., Qi, Guodong, Bethell, Donald, Howard, Mark J., Harrison, Brian, Yao, Bingqing, He, Qian, Morgan, David J.

, Ni, Fenglou, Sharma, Pankaj

, Kiely, Christopher J.

, Li, Xu, Deng, Feng, Xu, Jun and Hutchings, Graham J.

2023. Methane conversion to methanol using Au/ZSM-5 is promoted by carbon. ACS Catalysis 13 (11) , pp. 7199-7209. 10.1021/acscatal.3c01226

Carter, James H., Lewis, Richard J., Demetriou, Nikolas, Williams, Christopher, Davies, Thomas, Qin, Tian, Dummer, Nicholas F.

, Morgan, David J.

, Willock, David J.

, Liu, Xi, Taylor, Stuart H.

and Hutchings, Graham J.

2023. The selective oxidation of methane to methanol using in situ generated H 2 O 2 over palladium-based bimetallic catalysts †. Catalysis Science & Technology 10.1039/d3cy00116d

Catlow, C. Richard A.

, Chutia, Arunabhiram and Quesne, Matthew G. 2023. Computational modelling in catalytic science. Physical Chemistry Chemical Physics 25 (31) , pp. 20775-20776. 10.1039/D3CP90127K
Item availability restricted.

Catlow, C. Richard A.

2023. Crystal structure prediction: achievements and opportunities. IUCrJ 10 (2) , pp. 143-144. 10.1107/S2052252523001835

Catlow, C. Richard A.

, De Leeuw, Nora H.

, Michaelides, Angelos and Woodley, Scott M. 2023. Supercomputing modelling of advanced materials: preface. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2250) , 20220252. 10.1098/rsta.2022.0252

Costley‐Wood, Lucy G, Mohammed, Khaled, Carravetta, Marina, Decarolis, Donato, Goguet, Alexandre, Kordatos, Apostolos, Vakili, Reza, Manyar, Haresh, McPake, Erin, Skylaris, Chris‐Kriton, Thompson, Paul, Gibson, Emma K and Wells, Peter P. 2023. Towards the operational window for nitridic and carbidic palladium nanoparticles for directed catalysis. ChemCatChem 15 (21) , e202300870. 10.1002/cctc.202300870

Court-Wallace, Christopher, Davies, Philip

, Davies-Jones, Josh and Ososki, Genevieve 2023. PiFM and XPS Studies of Porous TiO2 Films for the Photocatalytic Decomposition of Polystyrene. Catalysts 13 (4) 10.3390/catal13040725

Cull, William J., Skowron, Stephen T., Hayter, Ruth, Stoppiello, Craig T., Rance, Graham A., Biskupek, Johannes, Kudrynskyi, Zakhar R., Kovalyuk, Zakhar D., Allen, Christopher S., Slater, Thomas J. A.

, Kaiser, Ute, Patanè, Amalia and Khlobystov, Andrei N. 2023. Subnanometer-Wide Indium Selenide Nanoribbons. ACS Nano 17 (6) , pp. 6062-6072. 10.1021/acsnano.3c00670

D

Daisley, Angela, Higham, Michael, Catlow, C. Richard A.

and Hargreaves, Justin S. J. 2023. Experimental and theoretical investigations on the anti-perovskite nitrides Co 3 CuN, Ni 3 CuN and Co 3 MoN for ammonia synthesis †. Faraday Discussions 243 , pp. 97-125. 10.1039/d2fd00151a

Damoyi, Nkululeko E., Friedrich, Holger B., Kruger, Gert H. and Willock, David J.

2023. A DFT study of the catalytic ODH of n-hexane over a cluster model of vanadium oxide. Molecular Catalysis 541 , 113078. 10.1016/j.mcat.2023.113078

Daniel, IsaacT., Kim, Bohyeon, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Cline, Joseph, Morgan, David J.

, Bethell, Donald, Kiely, Christopher J., McIntosh, Steven and Hutchings, Graham J.

2023. Electrochemical polarization of disparate catalytic sites drives thermochemical rate enhancement. ACS Catalysis 13 (21) , pp. 14189-14198. 10.1021/acscatal.3c03364

Dearg, Malcolm, Roncaglia, Cesare, Nelli, Diana, El Koraychy, El Yakout, Ferrando, Riccardo, Slater, Thomas J. A.

and Palmer, Richard E. 2023. Frame-by-frame observations of structure fluctuations in single mass-selected Au clusters using aberration-corrected electron microscopy. Nanoscale Horizons 10.1039/d3nh00291h

Decarolis, Donato and Odarchenko, Yaroslav 2023. Chapter 8: Advancements of synchrotron radiation techniques in catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 295-325. (10.1142/9781800612013_0008)

Delarmelina, Maicon

and Catlow, Richard

2023. Periodic density functional theory approaches for exploring metal oxides in catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Christopher, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 377-421. (10.1142/9781800612013_0010)

Delarmelina, Maicon

, Dlamini, Mbongiseni, Pattisson, Samuel, Davies, Philip Rosser

, Hutchings, Graham

and Catlow, Charles

2023. The effect of dissolved chlorides on the photocatalytic degradation properties of titania in wastewater treatment. Physical Chemistry Chemical Physics 25 , pp. 4161-4176. 10.1039/D2CP03140J

Dummer, Nicholas F.

, Willock, David J.

, He, Qian

, Howard, Mark J., Lewis, Richard J., Qi, Guodong, Taylor, Stuart H.

, Xu, Jun, Bethell, Don, Kiely, Christopher J.

and Hutchings, Graham J.

2023. Methane oxidation to methanol. Chemical Reviews 9 , pp. 6359-6411. 10.1021/acs.chemrev.2c00439

E

ElGehani, Albara A. M. A., Maashi, Hussain A., Harnedy, James and Morrill, Louis C.

2023. Electrochemical generation and utilization of alkoxy radicals. Chemical Communications 59 (25) , pp. 3655-3664. 10.1039/d3cc00302g

Evans, Christopher D., Bartley, Jonathan K.

, Taylor, Stuart H.

, Hutchings, Graham J.

and Kondrat, Simon A. 2023. Perovskite supported catalysts for the selective oxidation of glycerol to tartronic acid. Catalysis Letters 153 , pp. 2026-2035. 10.1007/s10562-022-04111-2

F

Feng, Yaoyao, Dechezelles, Jean-François, D'Acremont, Quentin, Courtade, Emmanuel, De Waele, Vincent, Pera-Titus, Marc

and Nardello-Rataj, Véronique 2023. Light-driven Pickering interfacial catalysis for the oxidation of alkenes at near-room temperature †. Green Chemistry 25 (4) , pp. 1417-1423. 10.1039/d2gc04591e

Fernandez, Vincent, Morgan, David

, Bargiela, Pascal, Fairley, Neal and Baltrusaitis, Jonas 2023. Combining PCA and nonlinear fitting of peak models to re-evaluate C 1s XPS spectrum of cellulose. Applied Surface Science 614 , 156182. 10.1016/j.apsusc.2022.156182

G

Gao, L., Jiang, Z., Miletto, I., Gianotti, E., Rebmann, E., Baussaron, L., Jiang, F. and Pera Titus, M. 2023. Robust Pd/Al2O3 bifunctional catalyst for single reactor tandem synthesis of furan and tetrahydrofuran derivatives from furfural. Chemical Engineering Journal 473 , 145021. 10.1016/j.cej.2023.145021

Garcia-Millan, Teodoro, Ramos-Soriano, Javier, Ghirardello, Mattia, Liu, Xia, Santi, Cristina Manuela, Eloi, Jean-Charles, Pridmore, Natalie, Harniman, Robert L., Morgan, David J.

, Hughes, Stephen, Davis, Sean A., Oliver, Thomas A. A., Kurian, Kathreena M. and Galan, M. Carmen 2023. Multicolor photoluminescent carbon dots à la carte for biomedical applications. ACS Applied Materials and Interfaces 15 (38) , pp. 44711-44721. 10.1021/acsami.3c08200

Gianolio, Diego, Higham, Michael D., Quesne, Matthew G., Aramini, Matteo, Xu, Ruoyu, Large, Alex I., Held, Georg, Velasco-Vélez, Juan-Jesús, Haevecker, Michael, Knop-Gericke, Axel, Genovese, Chiara, Ampelli, Claudio, Schuster, Manfred Erwin, Perathoner, Siglinda, Centi, Gabriele, Catlow, Richard

and Arrigo, Rosa 2023. Interfacial chemistry in the electrocatalytic hydrogenation of CO2 over C‑supported Cu-based systems. ACS Catalysis 13 (9) , pp. 5876-5895. 10.1021/acscatal.3c01288

Gkaliou, Kyriaki, Trakakis, George, Manikas, Anastasios, Davies, Philip R.

, Hall, Jeremy

, Galiotis, Costas and Eaton, Mark J.

2023. Understanding cure and interphase effects in functionalized graphene‐epoxy nanocomposites. Polymers for Advanced Technologies 34 (9) , pp. 2925-2935. 10.1002/pat.6114

Green, Christopher, Bilyanska, Antoaneta, Bradley, Mags, Dinsdale, Jason, Hutt, Lorraine, Backhaus, Thomas, Boons, Frank, Bott, David, Collins, Chris, Cornell, Sarah E., Craig, Mark, Depledge, Michael, Diderich, Bob, Fuller, Richard, Galloway, Tamara S., Hutchison, Gary R., Ingrey, Nicola, Johnson, Andrew C., Kupka, Rachael, Matthiessen, Peter, Oliver, Robin, Owen, Stewart, Owens, Susan, Pickett, John

, Robinson, Sam, Sims, Kerry, Smith, Pete, Sumpter, John P., Tretsiakova?McNally, Svetlana, Wang, Mengjiao, Welton, Tom, Willis, Katherine J. and Lynch, Iseult 2023. A horizon scan to support chemical pollution-related policymaking for sustainable and climate-resilient economies. Environmental Toxicology and Chemistry 42 (6) , pp. 1212-1228. 10.1002/etc.5620

Guadix-Montero, Susana, Sainna, Mala A., Jin, Jiangpeiyun, Reynolds, Jack, Forsythe, W. Graham, Sheldrake, Gary N., Willock, David

and Meenakshisundaram, Sankar

2023. Ruthenium ion catalysed C–C bond activation in lignin model compounds – towards lignin depolymerisation. Catalysis Science & Technology 13 , pp. 5912-5923. 10.1039/d3cy00076a

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. and Sokol, Alexey A. 2023. Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2250) , 20220234. 10.1098/rsta.2022.0234

Gupta, Priyanka, Drexler, Hans-Joachim, Wingad, Richard, Wass, Duncan

, Baráth, Eszter, Beweries, Torsten and Hering-Junghans, Christian 2023. P,N-type phosphaalkene-based Ir(i) complexes: synthesis, coordination chemistry, and catalytic applications. Inorganic Chemistry Frontiers 10 (8) , pp. 2285-2293. 10.1039/D3QI00142C

H

Harnedy, James, Maashi, Hussain A., El Gehani, Albara A. M. A., Burns, Matthew and Morrill, Louis C.

2023. Deconstructive functionalization of unstrained cycloalkanols via electrochemically generated aromatic radical cations. Organic Letters 25 (9) , pp. 1486-1490. 10.1021/acs.orglett.3c00219

Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Jones, Wilm, Hewes, Daniel and Bowker, Michael

2023. Delaminated hydrotalcite precursors for green methanol synthesis. Catalysis Communications 179 , 106694. 10.1016/j.catcom.2023.106694

Higham, Michael D., Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A.

2023. Mechanism of ammonia synthesis on Fe 3 Mo 3 N †. Faraday Discussions 243 , pp. 77-96. 10.1039/d2fd00148a

Hunter, Robert D., Hayward, Emily C., Smales, Glen J., Pauw, Brian R., Kulak, A., Guan, Shaoliang and Schnepp, Zoe 2023. The effect of nitrogen on the synthesis of porous carbons by iron-catalyzed graphitization †. Materials Advances 4 (9) , pp. 2070-2077. 10.1039/d3ma00039g

Hutchings, Graham

, Davidson, Matthew, Catlow, Richard

, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris 2023. Back Matter. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis, London, UK: World Scientific Publishing Europe Ltd., 595 - 607. (10.1142/9781800612013_bmatter)

Hutchings, Graham

, Davidson, Matthew, Catlow, Richard

, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris 2023. Front Matter. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis, Vol. 2. London, UK: World Scientific Publishing Europe Ltd, i–xxxi. (10.1142/9781800612013_fmatter)

I

Isaacs, Mark A., Drivas, Charalampos, Lee, Roxy, Palgrave, Robert, Parlett, Christopher M.A. and Morgan, David J.

2023. XPS surface analysis of ceria-based materials: Experimental methods and considerations. Applied Surface Science Advances 18 , 100469. 10.1016/j.apsadv.2023.100469

J

Jiang, Fan, Yan, Zhen, Chen, Xuan, Li, Xinlei, Streiff, Stéphane and Pera Titus, M. 2023. Liquid-phase permethylation of diethylenetriamine using methanol over robust composite copper catalysts. Catalysis Science & Technology 13 (1) , pp. 187-194. 10.1039/D2CY01454H

K

Kabalan, Lara, Kowalec, Igor, Rigamonti, Santiago, Troppenz, Maria, Draxl, Claudia, Catlow, C Richard

and Logsdail, Andrew J

2023. Investigation of the Pd (1− x ) Zn x alloy phase diagram using ab initio modelling approaches. Journal of Physics: Condensed Matter 35 (40) , 405402. 10.1088/1361-648x/ace01a

Kovačič, Dávid, Lewis, Richard J., Crombie, Caitlin M., Morgan, David J.

, Davies, Thomas E., López-Martín, Ángeles, Qin, Tian, Allen, Christopher S., Edwards, Jennifer. K.

, Chen, Liwei, Skjøth-Rasmussen, Martin Skov, Liu, Xi and Hutchings, Graham J.

2023. A comparative study of palladium-gold and palladium-tin catalysts in the direct synthesis of H2O2. Green Chemistry 25 (24) , pp. 10436-10446. 10.1039/d3gc03706a

L

Lahiri, Abhishek, Guan, Shaoliang and Chutia, Arunabhiram 2023. Modulating aluminum solvation with ionic liquids for improved aqueous-based aluminum-ion batteries. ACS Applied Energy Materials 6 (23) , pp. 11874-11881. 10.1021/acsaem.3c01745

Lazaridou, Anna, Smith, Louise R., Pattisson, Samuel, Dummer, Nicholas F.

, Smit, Joost J., Johnston, Peter and Hutchings, Graham J.

2023. Recognizing the best catalyst for a reaction. Nature Reviews Chemistry 10.1038/s41570-023-00470-5

Lewis, Richard J., Ueura, Kenji, Liu, Xi, Fukuta, Yukimasa, Qin, Tian, Davies, Thomas, Morgan, David J.

, Stenner, Alex, Singleton, James, Edwards, Jennifer K.

, Freakley, Simon J., Kiely, Christopher J.

, Chen, Liwei, Yamamoto, Yasushi and Hutchings, Graham J.

2023. Selective Ammoximation of Ketones via In Situ H2O2 Synthesis. ACS Catalysis 13 , pp. 1934-1945. 10.1021/acscatal.2c05799

Li, Xin, Rui, Peng, Ye, Tongqi, Yao, Xin, Zhou, Rulong, Li, Dongdong, Wang, Sheng, Carter, James H. and Hutchings, Graham J.

2023. Hydrogenolysis of 5-hydroxymethylfurfural by in situ produced hydrogen from water on an iron catalyst. Catalysis Science & Technology 13 (11) , pp. 3366-3374. 10.1039/D3CY00027C
Item availability restricted.

Liang, Yu, Douthwaite, Mark, Huang, Xiaoyang, Zhao, Binbin, Tang, Qiong, Liu, Lei and Dong, Jinxiang 2023. Zero-oxidation state precursor assisted fabrication of highly dispersed and stable Pt catalyst for chemoselective hydrogenation of α,β--unsaturated aldehydes. Nano Research 16 , pp. 6085-6093. 10.1007/s12274-022-4822-4

Liu, Xiaoyu, Li, Haijiang

and Zhu, Xiaofeng 2023. A GPT-based method of Automated Compliance Checking through prompt engineering. Presented at: 30th European Group for Intelligent Computing in Engineering - 'Towards Sustainable, Smart and Resilient Buildings, Infrastructures and Cities', University College London, 4-7 July 2023.

Lombard, C. J., van Sittert, C. G. C. E., Mugo, J. N., Perry, C. and Willock, David

2023. Computational investigation of α-SiO 2 surfaces as a support for Pd †. Physical Chemistry Chemical Physics 10.1039/d2cp04722e

Lu, You, Sen, Kakali, Yong, Chin, Gunn, David S. D., Purton, John A., Guan, Jingcheng, Desmoutier, Alec, Abdul Nasir, Jamal, Zhang, Xingfan, Zhu, Lei, Hou, Qing, Jackson-Masters, Joe, Watts, Sam, Hanson, Rowan, Thomas, Harry N., Jayawardena, Omal, Logsdail, Andrew J.

, Woodley, Scott M., Senn, Hans M., Sherwood, Paul, Catlow, Richard

, Sokol, Alexey A. and Keal, Thomas W. 2023. Multiscale QM/MM modelling of catalytic systems with ChemShell †. Physical Chemistry Chemical Physics 10.1039/d3cp00648d

M

Major, George H., Pinder, Joshua W., Austin, Daniel E., Baer, Donald R., Castle, Steven L., Cechal, Jan, Clark, B. Maxwell, Cohen, Hagai, Counsell, Jonathan, Herrera-Gomez, Alberto, Govindan, Pavitra, Kim, Seong H., Morgan, David J.

, Opila, Robert L., Powell, Cedric J., Průša, Stanislav, Roberts, Adam, Rocca, Mario, Shirahata, Naoto, Šikola, Tomás, Smith, Emily F., So, Regina C., Stovall, John E., Strunk, Jennifer, Teplyakov, Andrew, Terry, Jeff, Weber, Stephen G. and Linford, Matthew R. 2023. Perspective on improving the quality of surface and material data analysis in the scientific literature with a focus on x-ray photoelectron spectroscopy (XPS). Journal of Vacuum Science and Technology A 41 (3) , 038501. 10.1116/6.0002437
Item availability restricted.

Maliutina, Kristina Mikhailovna, Omoriyekomwan, Joy Esohe, He, Chuanxin, Fan, Liangdong and Folli, Andrea

2023. Biomass-derived carbon nanostructures and their applications as electrocatalysts for hydrogen evolution and oxygen reduction/evolution. Frontiers in Environmental Engineering 2 , 1228992. 10.3389/fenve.2023.1228992

Matam, Santhosh K., O'Malley, Alexander J., Silverwood, Ian and Catlow, Richard

2023. Dynamics and reactivity of methanol in zeolite H-ZSM-5. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 219-254. (10.1142/9781800612013_0006)

Matam, Santhosh K., Silverwood, Ian P., Boudjema, Lotfi, O'Malley, Alexander J. and Catlow, C. Richard A.

2023. Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2259) , 20220335. 10.1098/rsta.2022.0335

Melen, Rebecca L.

and Pramanik, Milan 2023. Activation of Diazo Compounds by Fluorinated Triarylborane Catalysts. Synthesis: Journal of Synthetic Organic Chemistry 10.1055/a-2118-3046

Minova, Ivalina B., Matam, Santhosh K., Frogley, Mark D., Cinque, Gianfelice, Catlow, Richard

, Wright, Paul A. and Howe, Russell F. 2023. Chapter 11: Insights into methanol-to-hydrocarbon catalysis over ZSM-5 and SAPO-34 from operando synchrotron infrared microspectroscopy. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 423-460. (10.1142/9781800612013_0011)

Mondal, Prasenjit, Singh, Pritam, Morgan, David

, Bose, Adity and Sen, Kamalika 2023. Ni-sinapic acid nanocomposite in the selective sensing of permanganate ions. Journal of Photochemistry and Photobiology A: Chemistry 437 , 114458. 10.1016/j.jphotochem.2022.114458

Morgan, David J.

2023. Core-level spectra of metallic lanthanides: Dysprosium (Dy). Surface Science Spectra 30 (2) , 024017. 10.1116/6.0002917

Morgan, David J.

2023. Photoelectron spectroscopy of ceria: Reduction, quantification and the myth of the vacancy peak in XPS analysis. Surface and Interface Analysis 55 (11) , pp. 845-850. 10.1002/sia.7254

Morgan, David J.

2023. XPS analysis of electrically insulating catalytic materials. Zafeiratos, Spyridon, ed. Applications of X-ray Photoelectron Spectroscopy to Catalytic Studies: From Routine Analysis to Cutting-Edge Surface Characterization, Catalytic Science Series: Volume 21, World Scientific, pp. 97-120. (10.1142/9781800613294_0005)

Morgan, David J.

2023. XPS insights: Sample degradation in X-ray photoelectron spectroscopy. Surface and Interface Analysis 55 (5) , pp. 331-335. 10.1002/sia.7205

Morteo‐Flores, Fabian, Quayle, Max, Salom-Catala, Antoni, Pera Titus, Marc and Roldan Martinez, Alberto

2023. First‐principles microkinetic study of the catalytic hydrodeoxygenation of guaiacol on transition metal surfaces. ChemCatChem 15 (24) , e202300671. 10.1002/cctc.202300671

N

Ni, Fenglou, Richards, Thomas, Smith, Louise, Morgan, David

, Davies, Thomas, Lewis, Richard J. and Hutchings, Graham J.

2023. Selective oxidation of methane to methanol via in situ H2O2 synthesis. ACS Organic & Inorganic Au 3 (4) , pp. 177-183. 10.1021/acsorginorgau.3c00001

O

Ou, Yucheng, Zhai, Liangyu, Zhu, Gangqiang, Zhang, Weibin, Huang, Xiaoyang, Akdim, Ouardia, Zhu, Lujun, Nie, Junli, Rao, Fei, Huang, Yu, Shi, Xianjin, Gao, Jianzhi, Lu, Hongbin and Hojamberdiev, Mirabbos 2023. Achieving molecular-level selective detection of volatile organic compounds through a strong coupling effect of ultrathin nanosheets and Au nanoparticles. ACS Sensors 9 (1) , 139–148. 10.1021/acssensors.3c01777
Item availability restricted.

Ou, Xiaoxia, Dlamini, Mbongiseni W., Tomatis, Marco, Davies, Philip R.

, Hutchings, Graham J.

and Hardacre, Christopher 2023. Catalytic treatment of high ionic strength wastewater from shale gas production. Modern Developments in Catalysis, Vol. 2. World Scientific Publishing Europe Ltd., pp. 1-52. (10.1142/9781800612013_0001)

P

Pahar, Sanjukta, Górecka, Aleksandra, Richards, Emma

and Melen, Rebecca L.

2023. Flourishing reactivities of isocyanates and isothiocyanates using group 13 elements. Cell Reports Physical Science 4 (12) , 101745. 10.1016/j.xcrp.2023.101745

Parker, Luke A., Richards, Nia, Bailey, Liam, Carter, James H., Nowicka, Ewa

, Pattisson, Samuel, Dummer, Nicholas F.

, He, Qian

, Lu, Li, Kiely, Christopher J., Golunski, Stanislaw E.

, Roldan, Alberto

and Hutchings, Graham J.

2023. Investigating periodic table interpolation for the rational design of nanoalloy catalysts for green hydrogen production from ammonia decomposition. Catalysis Letters 10.1007/s10562-023-04446-4

Patterson, Joanne

, Bray, Rachel, Davies, Gerard and Ford, Rebecca 2023. How interdisciplinary collaborative research can enable a better transition towards a Net Zero future. [Technical Report]. UK: UKRI/EnergyREV. Available at: https://www.energyrev.org.uk/

Popov, Ilya, Ghaderzadeh, Sadegh, Kohlrausch, Emerson C., Norman, Luke T., Slater, Thomas J. A.

, Aliev, Gazi N., Alhabeadi, Hanan, Kaplan, Andre, Theis, Wolfgang, Khlobystov, Andrei N., Fernandes, Jesum Alves and Besley, Elena 2023. Chemical kinetics of metal single atom and nanocluster formation on surfaces: An example of Pt on hexagonal Boron Nitride. Nano Letters 23 (17) , pp. 8006-8012. 10.1021/acs.nanolett.3c01968

Potter, Matthew E., Mediavilla Madrigal, Sofia, Campbell, Emma, Allen, Lisa J., Vyas, Urvashi, Parry, Stephen, García‐Zaragova, Adrián, Martínez‐Prieto, Luis M., Oña‐Burgos, Pascual, Lützen, Mads, Damsgaard, Christian D., Rodríguez‐Castellón, Enrique, Schiaroli, Nicola, Fornasari, Giuseppe, Benito, Patricia and Beale, Andrew M. 2023. A high pressure operando spectroscopy examination of bimetal interactions in ‘Metal Efficient’ palladium/In 2 O 3 /Al 2 O 3 catalysts for CO 2 hydrogenation. Angewandte Chemie 135 (45) , e202312645. 10.1002/ange.202312645

Pramanik, Milan, Guerzoni, Michael G., Richards, Emma

and Melen, Rebecca L.

2023. Recent advances in asymmetric catalysis using p‐block elements. Angewandte Chemie International Edition , e202316461. 10.1002/anie.202316461

Pramanik, Milan and Melen, Rebecca L.

2023. Metal-free routes from carbon monoxide to ketenes. Chem 9 (2) 10.1016/j.chempr.2023.01.014

Pramanik, Milan and Melen, Rebecca L.

2023. Frustrated radical pairs in selective functionalization of inert aliphatic C-H bonds. Chem 9 (8) , pp. 2060-2062. 10.1016/j.chempr.2023.07.012
Item availability restricted.

Pulis, Alexander P., Morrill, Louis C.

, Melen, Rebecca L.

, Gillions, Joseph P., Elsherbeni, Salma A., Winfrey, Laura and Yun, Lei 2023. Recent advances in catalysis using organoborane-mediated hydride abstraction. Accounts and Rapid Communications in Chemical Synthesis 34 10.1055/a-2111-9629

Q

Qiu, Chengwu, Odarchenko, Yaroslav, Lezcano-Gonzalez, Ines, Meng, Qingwei, Slater, Tom

, Xu, Shaojun and Beale, Andrew M. 2023. Visualising Co nanoparticle aggregation and encapsulation in Co/TiO2 catalysts and its mitigation through surfactant residues. Journal of Catalysis 419 , pp. 58-67. 10.1016/j.jcat.2023.02.002

Quesne, Matthew G., Higham, Michael D. and Catlow, Richard

2023. Advances in modelling reaction mechanisms: bridging the gap between homogeneous and heterogeneous catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, pp. 327-376. (10.1142/9781800612013_0009)

R

Ramdani, Wahiba, Rabadán González, Inés, Benbakoura, Nora, Ahmar, Mohammed, Verrier, Charlie, Queneau, Yves, Pera Titus, Marc, Jérôme, François and De Oliveira Vigier, Karine 2023. Catalytic Aldol Condensation of 5-Hydroxymethylfurfural and its Synthesis from Concentrated Feed of Carbohydrates. ChemCatChem 15 (11) , e202300044. 10.1002/cctc.202300044

Reed, Benjamen P., Marchesini, Sofia, Chemello, Giovanni, Morgan, David J.

, Vyas, Neil, Howe, Thomas, Radnik, Jörg, Clifford, Charles A. and Pollard, Andrew J. 2023. The influence of sample preparation on XPS quantification of oxygen-functionalised graphene nanoplatelets. Carbon 211 , p. 118054. 10.1016/j.carbon.2023.118054

Richards, Emma

and Melen, Rebecca L.

2023. Carbenium catalysis toward β-carbolines. Chem Catalysis 3 (2) , 100511. 10.1016/j.checat.2023.100511

Richards, Thomas, Lewis, Richard J., Morgan, David J.

and Hutchings, Graham J.

2023. The direct synthesis of Hydrogen Peroxide over supported Pd-based catalysts: an investigation into the role of the support and secondary metal modifiers. Catalysis Letters 153 , pp. 32-40. 10.1007/s10562-022-03967-8

S

Shah, Parag M., Bailey, Liam A., Morgan, David J.

and Taylor, Stuart H.

2023. The effect of metal ratio and precipitation agent on highly active iron-manganese mixed metal oxide catalysts for propane total oxidation. Catalysts 13 (5) , 794. 10.3390/catal13050794

Shah, Parag M., Bailey, Liam A. and Taylor, Stuart H.

2023. The influence of cerium to manganese ratio and preparation method on the activity of ceria-manganese mixed metal oxide catalysts for voc total oxidation. Catalysts 13 (1) , 114. 10.3390/catal13010114

Sharma, Pankaj

, Sharma, Monika, Dearg, Malcolm, Wilding, Martin, Slater, Thomas J. A.

and Catlow, C. Richard A.

2023. Cd/Pt precursor solution for solar H 2 production and in situ photochemical synthesis of Pt single‐atom decorated CdS nanoparticles. Angewandte Chemie International Edition 62 (20) , e202301239. 10.1002/anie.202301239

Sivagurunathan, Suganya, Marcotti, Stefania, Nelson, Carl J., Jones, Martin L., Barry, David J., Slater, Thomas J. A.

, Eliceiri, Kevin W. and Cimini, Beth A. 2023. Bridging imaging users to imaging analysis - A community survey. Journal of Microscopy 10.1111/jmi.13229
Item availability restricted.

Sokolnicki, Tomasz, Alharbi, Mashael M., van Ingen, Yara, Rahim, Shahnaz, Pramanik, Milan, Roldan Martinez, Alberto

, Walkowiak, Jędrzej and Melen, Rebecca L.

2023. Reactivity of a series of triaryl borates, B(OAr x) 3, in hydroboration catalysis. Dalton Transactions 52 (44) , pp. 16118-16122. 10.1039/d3dt03333c

Stefkova, Katarina, Guerzoni, Michael G., van Ingen, Yara, Richards, Emma

and Melen, Rebecca L.

2023. B(c6f5)3-catalyzed diastereoselective and divergent reactions of vinyldiazo esters with nitrones: synthesis of highly functionalized diazo compounds. Organic Letters 25 (3) , pp. 500-505. 10.1021/acs.orglett.2c04198

Stishenko, Pavel V., Keal, Thomas W., Woodley, Scott M., Blum, Volker, Hourahine, Benjamin, Maurer, Reinhard J. and Logsdail, Andrew J.

2023. Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. The Journal of Open Source Software 8 (85) , 5186. 10.21105/joss.05186

T

Tomer, Ajay, Islam, Mazharul M., Bahri, Mounib, Inns, Donald R., Manning, Troy D., Claridge, John B., Browning, Nigel D., Catlow, C. Richard A.

, Roldan, Alberto

, Katsoulidis, Alexandros P. and Rosseinsky, Matthew J. 2023. Enhanced production and control of liquid alkanes in the hydrogenolysis of polypropylene over shaped Ru/CeO2 catalysts. Applied Catalysis A: General 666 , 119431. 10.1016/j.apcata.2023.119431

Tong, Tao, Douthwaite, Mark, Chen, Lu

, Engel, Rebecca, Conway, Matthew B., Guo, Wanjun, Wu, Xin-Ping, Gong, Xue-Qing, Wang, Yanqin, Morgan, David J.

, Davies, Thomas, Kiely, Christopher J.

, Chen, Liwei

, Liu, Xi and Hutchings, Graham J.

2023. Uncovering structure - activity relationships in pt/ceo2 catalysts for hydrogen-borrowing amination. ACS Catalysis 13 (2) , pp. 1207-1220. 10.1021/acscatal.2c04347

Treder, Kevin P., Huang, Chen, Bell, Cameron G., Slater, Thomas J. A.

, Schuster, Manfred E., Özkaya, Doğan, Kim, Judy S. and Kirkland, Angus I. 2023. nNPipe: a neural network pipeline for automated analysis of morphologically diverse catalyst systems. npj Computational Materials 9 (1) , 18. 10.1038/s41524-022-00949-7

V

van der Zee, Lars J. C., Pahar, Sanjukta, Richards, Emma

, Melen, Rebecca L.

and Slootweg, J. Chris 2023. Insights into single-electron-transfer processes in frustrated lewis pair chemistry and related donor-acceptor systems in main group chemistry. Chemical Reviews 123 (15) , pp. 9653-9675. 10.1021/acs.chemrev.3c00217

Vázquez-Parga, David, Jurado, Anabel, Roldan, Alberto

and Viñes, Francesc 2023. A computational map of the probe CO molecule adsorption and dissociation on transition metal low Miller indices surfaces. Applied Surface Science 618 , 156581. 10.1016/j.apsusc.2023.156581

Vernieres, Jerome, Tarrat, Nathalie, Lethbridge, Sean, Watchorn-Rokutan, Erica, Slater, Thomas

, Loffreda, David and Palmer, Richard E. 2023. Influence of air exposure on structural isomers of silver nanoparticles. Communications Chemistry 6 , 19. 10.1038/s42004-023-00813-9

Visser, Nienke L., Verschoor, Juliette C., Smulders, Luc C.J., Mattarozzi, Francesco, Morgan, David J.

, Meeldijk, Johannes D., van der Hoeven, Jessi E.S., Stewart, Joseph A., Vandegehuchte, Bart D. and de Jongh, Petra E. 2023. Influence of carbon support surface modification on the performance of nickel catalysts in carbon dioxide hydrogenation. Catalysis Today , 114071. 10.1016/j.cattod.2023.114071

W

Wang, Sikai, Fung, Victor, Hülsey, Max J., Liang, Xiaocong, Yu, Zhiyang, Chang, Jinquan, Folli, Andrea

, Lewis, Richard J., Hutchings, Graham J.

, He, Qian and Yan, Ning 2023. H2-reduced phosphomolybdate promotes room-temperature aerobic oxidation of methane to methanol. Nature Catalysis 6 , pp. 895-905. 10.1038/s41929-023-01011-5

Wang, Yucheng, Wu, Yanan, Zheng, Xingqun and Lu, Shun 2023. Ice-templated method to promote electrochemical energy storage and conversion: a review. Energies 16 (9) , 3865. 10.3390/en16093865

Wilding, Martin C., Sella, Andrea, Howard, Christopher A., Jorge Sobrido, Ana and Catlow, Richard A.

2023. Exploring the length scales, timescales and chemistry of challenging materials (Part 1). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2258) , 20220353. 10.1098/rsta.2022.0353

Wilding, Martin C., Sella, Andrea, Howard, Christopher A., Sobrido, Ana Jorge and Catlow, C. R. A.

2023. Exploring the length scales, timescales and chemistry of challenging materials (Part 2). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2259) , 20230175. 10.1098/rsta.2023.0175

Willock, D.J.

2023. Crystal binding (interatomic forces): Metallic bonding and crystals. Reference Module in Materials Science and Materials Engineering, Elsevier, (10.1016/B978-0-323-90800-9.00193-1)

Wingad, Richard, Birch, Laurence, Farndon, Joshua, Lee, Jason, Pellow, Katy J. and Wass, Duncan F.

2023. Control in advanced biofuels synthesis via alcohol upgrading: catalyst selectivity to n ‐butanol, sec ‐butanol or isobutanol. ChemCatChem , e202201410. 10.1002/cctc.202201410

X

Xie, Zijuan, Buckeridge, John, Catlow, C. Richard. A

, Zhang, Anping, Keal, Thomas W., Sherwood, Paul, Lu, You, Woodley, Scott M. and Sokol, Alexey A. 2023. Overcoming the compensation of acceptors in GaN:Mg by defect complex formation. APL Materials 11 (8) , 080701. 10.1063/5.0148858

Xu, Shaojun, Fan, Xiaolei, Chen, Huanhao, Hardacre, Christopher and Catlow, Richard

2023. Non-thermal plasma-assisted catalysis for carbon neutrality. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 117-158. (10.1142/9781800612013_0003)

Y

Yue, Chenghao, Liu, Yao, Guan, Shaoliang, Fereydooni, Alireza, Zeng, Yuexi, Wei, Zhijie, Wang, Yonggang and Chao, Yimin 2023. Optimising hollow-structured silicon nanoparticles for lithium-ion batteries. Materials 16 (17) , 5884. 10.3390/ma16175884

Z

Zhang, Zhen, Dong, Mochen, Zallot, Rémi, Blackburn, George Michael, Wang, Nini, Wang, Chengjian, Chen, Long, Baumann, Patrick, Wu, Zuyan, Wang, Zhongfu, Fan, Haiming, Roth, Christian, Jin, Yi and He, Yuan 2023. Mechanistic and structural insights into the specificity and biological functions of bacterial sulfoglycosidases. ACS Catalysis 13 (1) , 824–836. 10.1021/acscatal.2c05405

Zhang, Chen, Sun, Shuzhuang, Xu, Shaojun, Johnston, Chris and Wu, Chunfei 2023. Phosphorus removal from dirty farmyard water by activated anaerobic-digestion-derived biochar. Industrial & Engineering Chemistry Research 62 (45) , pp. 19216-19224. 10.1021/acs.iecr.2c02668

Zhang, Xingfan, Liu, Taifeng, Zhu, Lei, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C. Richard A.

and Sokol, Alexey A. 2023. Bulk and surface contributions to ionisation potentials of metal oxides. Angewandte Chemie 135 (40) , e202308411. 10.1002/ange.202308411

Zhang, Xingfan, Liu, Taifeng, Zhu, Lei, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C.Richard A.

and Sokol, Alexey A. 2023. Bulk and surface contributions to ionisation potentials of metal oxides. Angewandte Chemie International Edition , e202308411. 10.1002/anie.202308411

Zhang, Xingfan, Zhu, Lei, Hou, Qing, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, Charles

and Sokol, Alexey A. 2023. Toward a consistent prediction of defect chemistry in ceo2. Chemistry of Materials 35 (1) , pp. 207-227. 10.1021/acs.chemmater.2c03019

Zhao, Liang, Akdim, Ouardia, Huang, Xiaoyang, Wang, Kai, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Lin, Runjia, Yao, Bingqing, Morgan, David J.

, Shaw, Greg, He, Qian

, Bethell, Donald, McIntosh, Steven, Kiely, Christopher J.

and Hutchings, Graham J.

2023. Insights into the effect of metal ratio on cooperative redox enhancement effects over au- and pd-mediated alcohol oxidation. ACS Catalysis 13 (5) , pp. 2892-2903. 10.1021/acscatal.2c06284

Zhou, Dan, Spruit, Ronald G., Perez Garza, Hugo, Bladt, Eva, Lu, Chenyang, Liu, Xi, Carter, James, Hutchings, Graham

and Liu, Wei 2023. Atmospheric gas and heating transmission electron microscopy with water vapor control. Microscopy and Microanalysis 29 (Supple) , pp. 1591-1592. 10.1093/micmic/ozad067.818

Ziarko, Aleksandra, Slater, Thomas J. A.

, Isaacs, Mark A., Durndell, Lee J. and Parlett, Christopher M. A. 2023. Isolated PdO sites on SiO2-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation. Catalysis Science & Technology 13 (12) , pp. 3483-3488. 10.1039/d3cy00198a

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