Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization Abdal-Azim Al-Terkawi, Gudrun Scholz, Carsten Prinz, Annett Zimathies, Franziska Emmerling, Erhard Kemnitz
Crystengcomm, 20 Dec 2017 DOI: 10.1039/C7CE01906H A universal adsorption behaviour for Cu uptake by iron (hydr)oxide organo-mineral composites Alba Otero Fariña, Caroline L. Peacock, Sarah Fiol, Juan Antelo, Benjamin Carvin
Chemical Geology, Dec 2017 DOI: 10.1016/j.chemgeo.2017.12.022 Biotemplating: a sustainable synthetic methodology for Na-ion battery materials Silvija Zilinskaite, Anthony J. R. Rennie, Rebecca Boston, Nik Reeves-Mclaren
Journal Of Materials Chemistry A, 189 Dec 2017 DOI: 10.1039/C7TA09260A Novel Lewis acidic zeolites as heterogeneous catalysts for liquid phase chemistry Abbas Al-Nayili
Dec 2017 Thesis B18-Core EXAFS
Homocoupling of phenylboronic acid using atomically dispersed gold on carbon catalysts: catalyst evolution before reaction Tanja E. Parmentier, Simon R. Dawson, Grazia Malta, Li Lu, Thomas E. Davies, Simon A. Kondrat, Simon J. Freakley, Christopher J. Kiely, Graham J. Hutchings
Chemcatchem, Dec 2017 DOI: 10.1002/cctc.201701840 Substitution of Re 7+ into CaMnO3 : an efficient free electron generation dopant for tuning of thermoelectric properties J. Felix Shin, Hongjun Niu, Jonathan Alaria, John B. Claridge, Matthew J. Rosseinsky
Physical Chemistry Chemical Physics, 28 Nov 2017 DOI: 10.1039/C7CP06805K Journal Paper B18-Core EXAFS I11-High Resolution Powder Diffraction Impacts of repeated redox cycling on technetium mobility in the environment Nicholas Karl Masters-Waage, Katherine Morris, Jonathan R. Lloyd, Samuel Shaw, J. Frederick W. Mosselmans, Christopher Boothman, Pieter Bots, Athanasios Rizoulis, Francis R. Livens, Gareth Law
Environmental Science & Technology, Nov 2017 DOI: 10.1021/acs.est.7b02426 Coupling of emergent octahedral rotations to polarization in (K,Na)NbO3 ferroelectrics I. Levin, V. Krayzman, G. Cibin, M. G. Tucker, M. Eremenko, K. Chapman, R. L. Paul
Scientific Reports, 7 Nov 2017 DOI: 10.1038/s41598-017-15937-x Codoping of Sb2Te3 thin films with V and Cr L. B. Duffy, A. I. Figueroa, G. Van Der Laan, T. Hesjedal
Physical Review Materials, 1 Nov 2017 DOI: 10.1103/PhysRevMaterials.1.064409 Journal Paper B18-Core EXAFS I10-Beamline for Advanced Dichroism - scattering Design, synthesis and characterisation of novel materials for photocatalytic water splitting Emily Glover
Nov 2017 Thesis B18-Core EXAFS open access
VOx/Fe2O3 shell–core catalysts for the selective oxidation of methanol to formaldehyde Pip Hellier, Peter P. Wells, Diego Gianolio, Michael Bowker
Topics In Catalysis, 158 Nov 2017 DOI: 10.1007/s11244-017-0873-2 SPIONs for cell labelling and tracking using MRI: magnetite or maghemite? Michael Barrow, Arthur Taylor, Ana M. Fuentes-Caparrós, Jack Sharkey, Luke Daniels, Pranab Mandal, B. Kevin Park, Patricia Murray, Matthew Rosseinsky, Dave J. Adams
Biomaterials Science, 6 Nov 2017 DOI: 10.1039/C7BM00515F Polyamine functionalised ion exchange resins: Synthesis, characterisation and uranyl uptake J. T. M. Amphlett, M. D. Ogden, R. I. Foster, N. Syna, K. Soldenhoff, C. A. Sharrad
Chemical Engineering Journal, Nov 2017 DOI: 10.1016/j.cej.2017.11.040 The role of non-thermal plasmas in methane oxidation Diamond Light Source
Nov 2017 Science Highlight B18-Core EXAFS
Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding Alexander F. R. Kilpatrick, Jennifer Green, Zoe Turner, Jean-Charles Buffet, Dermot O'Hare
Chemical Communications, Oct 2017 DOI: 10.1039/C7CC07083G Incorporation of molybdenum(vi) in akaganéite (β-FeOOH) and the microbial reduction of Mo–akaganéite by Shewanella loihica PV-4 Ralph M. Bolanz, Christoph Grauer, Rebecca E. Cooper, Jörg Göttlicher, Ralph Steininger, Stephen Parry, Kirsten Küsel
Crystengcomm, 19 Oct 2017 DOI: 10.1039/C7CE01569K Bacterial SBP56 identified as a Cu-dependent methanethiol oxidase widely distributed in the biosphere Özge Eyice, Nataliia Myronova, Arjan Pol, Ornella Carrión, Jonathan D. Todd, Tom J. Smith, Stephen J. Gurman, Adam Cuthbertson, Sophie Mazard, Monique Ash Mennink-Kersten, Timothy D. H. Bugg, Karl kristoffer Andersson, Andrew W. B. Johnston, Huub J. M. Op Den Camp, Hendrik Schafer
The Isme Journal, 12 Oct 2017 DOI: 10.1038/ismej.2017.148 Support induced charge transfer effects on electrochemical characteristics of Pt nanoparticle electrocatalysts Colleen Jackson, Graham T. Smith, Matthew Markiewicz, David W. Inwood, Andrew S. Leach, Penny S. Whalley, Anthony R. Kucernak, Andrea E. Russell, Denis Kramer, Pieter B. J. Levecque
Journal Of Electroanalytical Chemistry, Oct 2017 DOI: 10.1016/j.jelechem.2017.10.010 In situ determination of the nanostructure effects on the activity, stability and selectivity of Pt-Sn ethanol oxidation catalysts Laura Calvillo, Lucila Méndez De Leo, Stephen J. Thompson, Stephen W. T. Price, Ernesto J. Calvo, Andrea E. Russell
Journal Of Electroanalytical Chemistry, Sept 2017 DOI: 10.1016/j.jelechem.2017.09.060 Uranium(V) incorporation mechanisms and stability in Fe(II)/Fe(III) (oxyhydr)oxides Hannah Roberts, Katherine Morris, Gareth Law, J. Frederick W. Mosselmans, Kristina Kvashnina, Pieter Bots, Samuel Shaw
Environmental Science & Technology Letters, Sept 2017 DOI: 10.1021/acs.estlett.7b00348 Mineralogy of dust and aerosols: status and perspectives of spectroscopic methods as novel ice cores proxies and for climatic and environmental applications A. Marcelli
Sept 2017 Conference Paper B18-Core EXAFS
Investigation of the role of morphology on the magnetic properties of Ca2Mn3O8 materials Laura J. Vera Stimpson, Silvia Ramos, Gavin B. G. Stenning, Marek Jura, Stephen Parry, Giannantonio Cibin, Donna Arnold
Dalton Transactions, Sept 2017 DOI: 10.1039/C7DT03053C Designing metal nanoparticles for catalysis Scott Rogers
Sept 2017 Thesis B18-Core EXAFS I18-Microfocus Spectroscopy open access
Solvothermal synthesis of oxides for catalysis Daniel Sean Cook
Sept 2017 Thesis B18-Core EXAFS I12-JEEP: Joint Engineering, Environmental and Processing
In situ arsenic oxidation and sorption by a Fe-Mn binary oxide waste in soil Clare M. Mccann, Caroline L. Peacock, Karen A. Hudson-Edwards, Thomas Shrimpton, Neil D. Gray, Karen L. Johnson
Journal Of Hazardous Materials, Aug 2017 DOI: 10.1016/j.jhazmat.2017.08.066 Enzyme activity by design: an artificial rhodium hydroformylase for linear aldehydes Amanda G. Jarvis, Lorenz Obrecht, Peter J. Deuss, Wouter Laan, Emma K. Gibson, Peter Wells, Paul Kamer
Angewandte Chemie International Edition, Aug 2017 DOI: 10.1002/anie.201705753 An EXAFS approach to the study of polyoxometalate–protein interactions: the case of decavanadate–actin M. Paula M. Marques, Diego Gianolio, Susana Ramos, Luis A. E. Batista De Carvalho, Manuel Aureliano
Inorganic Chemistry, Aug 2017 DOI: 10.1021/acs.inorgchem.7b01018 The adsorption of Cu on the CeO2(110) surface Arunabhiram Chutia, Emma Gibson, Matthew R. Farrow, Peter Wells, David O. Scanlon, Nikolaos Dimitratos, David J. Willock, C. Richard A. Catlow
Physical Chemistry Chemical Physics, Aug 2017 DOI: 10.1039/C7CP04144F Synthesis and activation for catalysis of Fe-SAPO-34 prepared using iron polyamine complexes as structure directing agents Alessandro Turrina, Iulian Dugulan, Jillian Collier, Richard I. Walton, John L Casci, Paul Wright
Catalysis Science & Technology, Aug 2017 DOI: 10.1039/C7CY01269A In situ spatially resolved techniques for the investigation of packed bed catalytic reactors: current status and future outlook of spaci-fb Alexandre Goguet, Caomhan Stewart, Jamal Touitou, Kevin Morgan
Aug 2017 DOI: 10.1016/bs.ache.2017.05.001 Effect of parameters on NO reduction by methane in presence of excess O2 and functionalized AlMCM-41 as catalysts Mounir Sakmeche, Ahmed Belhakem, Rachid Kessas, Samia Amina Ghomari
Journal Of The Taiwan Institute Of Chemical Engineers, Jul 2017 DOI: 10.1016/j.jtice.2017.07.018 Iron phosphate glasses: Bulk properties and atomic scale structure Kitheri Joseph, Martin C. Stennett, Neil C. Hyatt, R. Asuvathraman, Charu L. Dube, Amy S. Gandy, K. V. Govindan Kutty, Kenny Jolley, P. R. Vasudeva Rao, Roger Smith
Journal Of Nuclear Materials, Jul 2017 DOI: 10.1016/j.jnucmat.2017.07.015 High-resolution X-ray diffraction with no sample preparation G. M. Hansford, S. M. R. Turner, P. Degryse, A. J. Shortland
Acta Crystallographica Section A Foundations And Advances, 73 Jul 2017 DOI: 10.1107/S2053273317008592 Phosphate ion functionalization of perovskite surfaces for enhanced oxygen evolution reaction Chunzhen Yang, Christel Laberty-Robert, Dmitry Batuk, Giannantonio Cibin, Alan Chadwick, Vanessa Pereira Pimenta, Wei Yin, Leiting Zhang, Jean-Marie Tarascon, Alexis Grimaud
The Journal Of Physical Chemistry Letters, Jul 2017 DOI: 10.1021/acs.jpclett.7b01504 A high-quality non-destructive XRD technique for cultural heritage Graeme Hansford, Stuart Turner, Patrick Degryse, Andrew Shortland
Jul 2017 Poster B18-Core EXAFS open access
Combined in situ XAFS/DRIFTS studies of the evolution of nanoparticle structures from molecular precursors Ellie K. Dann, Emma K. Gibson, Richard A. Catlow, Paul Collier, Tugce Eralp Erden, Diego Gianolio, Christopher Hardacre, Anna Kroner, Agnes Raj, Alexandre Goguet, Peter Wells
Chemistry Of Materials, Jul 2017 DOI: 10.1021/acs.chemmater.7b02552 Non-destructive X-ray diffraction Diamond Light Source
Jul 2017 Science Highlight B18-Core EXAFS
Time-resolved powder X-ray diffraction of the solvothermal crystallization of cobalt gallate spinel photocatalyst reveals transient layered double hydroxides Daniel S. Cook, Yue Wu, Karla Lienau, Rene More, Reza J. Kashtiban, Oxana Magdysyuk, Greta R. Patzke, Richard I. Walton
Chemistry Of Materials, June 2017 DOI: 10.1021/acs.chemmater.7b01761 Journal Paper B18-Core EXAFS I12-JEEP: Joint Engineering, Environmental and Processing open access Electronic metal-support interaction enhanced oxygen reduction activity and stability of boron carbide supported platinum Colleen Jackson, Graham T. Smith, David W. Inwood, Andrew S. Leach, Penny S. Whalley, Mauro Callisti, Tomas Polcar, Andrea E. Russell, Pieter Levecque, Denis Kramer
Nature Communications, 8 June 2017 DOI: 10.1038/ncomms15802 Properties of bimetallic AuAg nanoparticles for H2 production Anna L. Gould
June 2017 Thesis B18-Core EXAFS open access
Generation, spectroscopic and chemical characterization of an octahedral iron (V) - nitrido species with a neutral ligand platform Gerard Sabenya, Laura Lazaro, Ilaria Gamba, Vlad Martin-Diaconescu, Erik Andris, Thomas Weyhermuller, Frank Neese, Jana Roithova, Eckhard Bill, Julio Lloret-Fillol, Miquel Costas
Journal Of The American Chemical Society, June 2017 DOI: 10.1021/jacs.7b00429 Cation distribution and vacancies in nickel cobaltite Danilo Loche, Claudia Marras, Daniela Carta, Maria Francesca Francesca Casula, Gavin Mountjoy, Anna Corrias
Physical Chemistry Chemical Physics, June 2017 DOI: 10.1039/C7CP02260C Magnetic proximity coupling to Cr-doped Sb2Te3 thin films L. B. Duffy, A. I. Figueroa, L. Gladczuk, N.-J. Steinke, K Kummer, G. Van Der Laan, Thorsten Hesjedal
Physical Review B, 95 June 2017 DOI: 10.1103/PhysRevB.95.224422 Probing the role of a non-thermal plasma (NTP) in the hybrid NTP-catalytic oxidation of CH4 Emma K. Gibson, C. Elena Stere, Bronagh Curran-Mcateer, Wilm Jones, Giannantonio Cibin, Diego Gianolio, Alexandre Goguet, Peter Wells, C. Richard A. Catlow, Paul Collier, Peter Hinde, Christopher Hardacre
Angewandte Chemie International Edition, June 2017 DOI: 10.1002/anie.201703550 Materials and breakdown phenomena: heterogeneous molybdenum metallic films Augusto Marcelli, Bruno Spataro, Giovanni Castorina, Wei Xu, Stefano Sarti, Francesca Monforte, Giannantonio Cibin
Condensed Matter, 2 May 2017 DOI: 10.3390/condmat2020018 Na0.35MnO2 as an ionic conductor with randomly distributed nano-sized layers Arturas Adomkevicius, Laura Cabo-Fernandez, Tzu-Ho Wu, Tzu-Man Ou, Ming-Guan Chen, Yuri Andreev, Chi-Chang Hu, Laurence J. Hardwick
Journal Of Materials Chemistry A, May 2017 DOI: 10.1039/C7TA02913F Solvent-dependent nuclearity, geometry and catalytic activity of [(SPhos)Pd(Ph)Cl] 2 John B. Brazier, Mark A Newton, Elena M. Barreiro, Luis A. Adrio, Leticia Naya, King Kuok (mimi) Hii
Dalton Transactions, May 2017 DOI: 10.1039/C7DT01019B Linear, trinuclear cobalt complexes with o-phenylene-bis-silylamido ligands Kirill Yu. Monakhov, Jan Van Leusen, Paul Kogerler, Emilie-Laure Zins, M. Esmail Alikhani, Moniek Tromp, Andreas A. Danopoulos, Pierre Braunstein
Chemistry - A European Journal, 23 May 2017 DOI: 10.1002/chem.201700496 Borate polyanion-based systems as Li- and Mg-ion cathode materials Hugh Glass
May 2017 DOI: 10.17863/CAM.10706 Insights into charge compensation through Oxygen redox Diamond Light Source
May 2017 Science Highlight B18-Core EXAFS
Design and characterization of a mapping device optimized to collect XRD patterns from highly inhomogeneous and low density powder samples A. D'Elia, G. Cibin, P. E. Robbins, V. Maggi, A. Marcelli
Nuclear Instruments And Methods In Physics Research Section B: Beam Interactions With Materials And Atoms, Apr 2017 DOI: 10.1016/j.nimb.2017.03.061 The application of a completely non-destructive high-resolution X-ray diffraction technique in cultural heritage science Graeme Hansford
Apr 2017 Conference Paper B18-Core EXAFS
Ca- and Sr-tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination Abdal-Azim Al-Terkawi, Gudrun Scholz, Ana Guilherme Buzanich, Stefan Reinsch, Franziska Emmerling, Erhard Kemnitz
Dalton Transactions, 46 Apr 2017 DOI: 10.1039/C7DT00734E In situ XAFS study of palladium electrodeposition at the liquid/liquid interface Samuel G. Booth, Sin-Yuen Chang, Akihiro Uehara, Camille La Fontaine, Giannantonio Cibin, Sven Schroeder, Robert A. W. Dryfe
Electrochimica Acta, Mar 2017 DOI: 10.1016/j.electacta.2017.03.059 Is geometric frustration-induced disorder a recipe for high ionic conductivity? Andre Duvel, Paul Heitjans, Pavel Fedorov, Gudrun Scholz, Giannantonio Cibin, Alan V. Chadwick, David M. Pickup, Silvia Ramos, Lewis W.l. Sayle, Emma K Sayle, Thi X. T. Sayle, Dean C. Sayle
Journal Of The American Chemical Society, Mar 2017 DOI: 10.1021/jacs.7b00502 Ruthenium-nickel-nickel hydroxide nanoparticles for room temperature catalytic hydrogenation Li Hua Zhu, Shiyao Shan, Valeri Petkov, Weiwei Hu, Anna Kroner, Jinbao Zheng, Changlin Yu, Nuowei Zhang, Yunhua Li, Rafael Luque, Chuan-Jian Zhong, Hengqiang Ye, Zhiqing Yang, Bing Hui Chen
Journal Of Materials Chemistry A, Mar 2017 DOI: 10.1039/C7TA01437F Nanoparticles in a box: a concept to isolate, store and re-use colloidal surfactant-free precious metal nanoparticles Sarah Neumann, Sarah Grotheer, Julia Tielke, Imke Schrader, Jonathan Quinson, Alessandro Zana, Mehtap Oezaslan, Matthias Arenz, Sebastian Kunz
Journal Of Materials Chemistry A, Mar 2017 DOI: 10.1039/C7TA00628D Visualisation of developmental ossification using trace element mapping Jennifer Anne, Nicholas P. Edwards, Arjen Van Veelen, Victoria Egerton, Phillip L. Manning, J . Frederick W. Mosselmans, Stephen Parry, William I. Sellers, Michael Buckley, Roy A. Wogelius
Journal Of Analytical Atomic Spectrometry, 21 Mar 2017 DOI: 10.1039/C7JA00042A Retardation of uranium and thorium by a cementitious backfill developed for radioactive waste disposal M. Felipe-Sotelo, J. Hinchliff, L. P. Field, A. E. Milodowski, O. Preedy, D. Read
Chemosphere, Mar 2017 DOI: 10.1016/j.chemosphere.2017.03.109 Identification of single-site gold catalysis in acetylene hydrochlorination Grazia Malta, Simon A. Kondrat, Simon J. Freakley, Catherine J. Davies, Li Lu, Simon Dawson, Adam Thetford, Emma K. Gibson, David J. Morgan, Wilm Jones, Peter Wells, Peter Johnston, C. Richard A. Catlow, Christopher J. Kiely, Graham J. Hutchings
Science, 355 Mar 2017 DOI: 10.1126/science.aal3439 Effects of metal speciation on metal plant dynamics in the presence of plant growth promoting bacteria Nyekachi Chituru Adele
Mar 2017 Thesis B18-Core EXAFS I18-Microfocus Spectroscopy
An X-ray absorption spectroscopy study of ball-milled lithium tantalate and lithium titanate nanocrystals A. V. Chadwick, D. M. Pickup, S. Ramos, G. Cibin, Nuria Tapia-Ruiz, S. Breuer, D. Wohlmuth, M. Wilkening
Iop Conference Series: Materials Science And Engineering, 169 Feb 2017 DOI: 10.1088/1757-899X/169/1/012015 Understanding the role of promoters in catalysis: operando XAFS/DRIFTS study of CeOx/Pt/Al2O3 during CO oxidation E. K. Gibson, E. M. Crabb, D. Gianolio, A. E. Russell, D. Thompsett, P. P. Wells
Catalysis, Structure & Reactivity, 3 Feb 2017 DOI: 10.1080/2055074X.2017.1278890 Effects of Cl on the reduction of supported PdO in ethanol/water solvent mixtures John B. Brazier, Mark A. Newton, Elena M. Barreiro, Stephen Parry, Luis A. Adrio, Christopher J. Mulligan, Klaus Hellgardt, King Kuok (mimi) Hii, Paul B. J. Thompson, Rachel Nichols, Bao N. Nguyen
Catalysis, Structure & Reactivity, 3 Feb 2017 DOI: 10.1080/2055074X.2016.1267296 Catalyst accessibility to chemical reductants in metal–organic frameworks Souvik Roy, Vlad Pascanu, Sonja Pullen, Greco González Miera, Belén Martín-Matute, Sascha Ott
Chemical Communications, 53 Feb 2017 DOI: 10.1039/C7CC00022G Novel X-ray diffraction and the remote analysis of Mars Stuart Turner
Feb 2017 Thesis B18-Core EXAFS
Towards the interrogation of the behaviour of a single nanoparticle under realistic catalytic reaction conditions David James Martin, Donato Decarolis, Remi Tucoulou, Gema Martínez-Criado, Andrew M. Beale
Catalysis, Structure & Reactivity, 3 Feb 2017 DOI: 10.1080/2055074X.2016.1277655 Structure of gold–silver nanoparticles Ian J. Godfrey, Andrew J. Dent, Ivan P. Parkin, Shinya Maenosono, Gopinathan Sankar
The Journal Of Physical Chemistry C, Jan 2017 DOI: 10.1021/acs.jpcc.6b11186 Nano-structured rhodium doped SrTiO3–Visible light activated photocatalyst for water decontamination Borbala Kiss, Troy D. Manning, David Hesp, Christophe Didier, Arthur Taylor, David M. Pickup, Alan V. Chadwick, Heather E. Allison, Vinod R. Dhanak, John B. Claridge, James R. Darwent, Matthew J. Rosseinsky
Applied Catalysis B: Environmental, Jan 2017 DOI: 10.1016/j.apcatb.2017.01.066 Electronic state of sodium trans-[tetrachloridobis(1H-indazole)ruthenate(III)] (NKP-1339) in tumor, liver and kidney tissue of a SW480-bearing mouse Amir Blazevic, Alfred Hummer, Petra Heffeter, Walter Berger, Martin Filipits, Giannantonio Cibin, Bernhard K. Keppler, Annette Rompel
Scientific Reports, 7 Jan 2017 DOI: 10.1038/srep40966 Mechanism of enhanced strontium uptake into calcite via an amorphous calcium carbonate (ACC) crystallisation pathway Janice L. Littlewood, Samuel Shaw, Caroline L. Peacock, Pieter Bots, Divyesh Trivedi, Ian T. Burke
Crystal Growth & Design, Jan 2017 DOI: 10.1021/acs.cgd.6b01599 Tandem site- and size-controlled Pd nanoparticles for the directed hydrogenation of furfural Scott M. Rogers, C. Richard A. Catlow, Carine E. Chan-Thaw, Arunabhiram Chutia, Nan Jian, Richard E. Palmer, Michal Perdjon, Adam Thetford, Nikolaos Dimitratos, Alberto Villa, Peter Wells
Acs Catalysis, Jan 2017 DOI: 10.1021/acscatal.6b03190 Long-term immobilization of technetium via bioremediation with slow-release substrates Laura Newsome, Adrian Cleary, Katherine Morris, Jonathan R. Lloyd
Environmental Science & Technology, Jan 2017 DOI: 10.1021/acs.est.6b04876 Evidence for strong lattice effects as revealed from huge unconventional oxygen isotope effects on the pseudogap temperature in La2−x Srx CuO4 M. Bendele, F. Von Rohr, Z. Guguchia, E. Pomjakushina, K. Conder, A. Bianconi, A. Simon, A. Bussmann-Holder, H. Keller
Physical Review B, 95 Jan 2017 DOI: 10.1103/PhysRevB.95.014514 In-situ synchrotron based investigations of the structure of iron substituted microporous catalysts under operating conditions G. P. Gregori
Jan 2017 Thesis B18-Core EXAFS I11-High Resolution Powder Diffraction