Conference Agenda

Session
MS-63: Catalysis: functionalized materials studied by XRD and XAFS
Time:
Thursday, 19/Aug/2021:
10:20am - 12:45pm

Session Chair: Valérie Briois
Session Chair: Andreas Roodt
Location: 223-4

60 2nd floor

Invited: Elisa Borfecchia (Italy), Ola F Wendt  (Sweden)


Session Abstract

Catalysis and MOFs: Materials structure and function in chemical applications using crystallography and XAFS Metal Organic Frameworks (MOFs) are a recent class of porous materials. On one hand, their crystalline characteristics with tunable porous structure with high surface areas and large pore volumes similar to that of zeolites and the ease of access to various metals ions in the pore resulting from their compositional versatility make them very attractive for catalysis. On the other hand, the channel of MOFs can serve also as host of active metal nanoparticles preserving them from undesirable sintering or modifications during reactions leading to deactivation. XRD and EXAFS are both powerful techniques to characterize the structures of those porous materials and fate of the embedded active species, single metal ions or nanoparticles. This MS will highlight how complementary are those techniques to help the researchers into the design of efficient catalysts using MOF materials and derived carbonaceous supports.

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.


Introduction
Presentations
10:20am - 10:25am
ID: 1794 / MS-63: 1
Introduction
Oral/poster

Introduction to session

Valerie Briois, Andreas Roodt



10:25am - 10:55am
ID: 182 / MS-63: 2
Materials and minerals
Invited lecture to session
MS: Catalysis: functionalized materials studied by XRD and XAFS
Keywords: palladium, iridium, heterogeneous catalysis, XAS, XRD

Heterogenization of molecular catalysts: C–H activation and dehydrogenation

Ola F. Wendt

Lund University, LUND, Sweden



10:55am - 11:25am
ID: 913 / MS-63: 3
All topics
Invited lecture to session
MS: Catalysis: functionalized materials studied by XRD and XAFS
Keywords: XAS, in situ/operando, zeolites, MOFs, selective redox catalysis

Understanding local structure and redox chemistry of metal ions in nanoporous catalysts by X-ray absorption spectroscopy

Elisa Borfecchia

University of Turin, Turin, Italy



11:25am - 11:45am
ID: 290 / MS-63: 4
Bursary application
Oral/poster
MS: Combining X-ray diffraction and spectroscopy to characterise materials, Catalysis: functionalized materials studied by XRD and XAFS
Keywords: XANES; XRD; MOFs; MCR; DFT

XAS and XRD analysis of active Pt and Pd sites in metal-organic framework UiO-67

Alina Skorynina1, Aram Bugaev1, Kirill Lomachenko2, Alexander Guda1, Andrea Lazzarini3, Unni Olsbye3, Karl Petter Lillerud3, Alexander Soldatov1

1Southern Federal University, Rostov-on-Don, Russian Federation; 2ESRF, Grenoble, France; 3University of Oslo, Oslo, Norway

Bibliography
2nd year PhD student at The Smart Materials Research Institute, Southern Federal University
Born
20 January 1995 in Vesely, Rostov region (Russia)
Address
The Smart Materials Research Institute, Sladkova 178/24, office 209, 344090 Rostov-on-Don, Russia
Phone: +7 (928) 194-01-33
E-mail: alinaskorynina@gmail.com
Education and certification
2018 – 2022PhD student at the Smart Materials Research Institute,
Southern Federal University, Rostov-on-Don, Russia
PhD Project:“Formation of active metal sites in metal-organic frameworks by in situ and operando synchrotron-based techniques”
Supervisor:Prof. Alexander V. Soldatov, soldatov@sfedu.ru
2016 – 2018Master degree in Physics, The Smart Materials Research Center,
Southern Federal University, Rostov-on-Don, Russia
2012 – 2016Bachelor degree in Physics, Department of Physics,
Southern Federal University, Rostov-on-Don, Russia
Publications in peer-reviews journals
1.A. Bugaev, A. Skorynina, et al. Catalysis Today (2019), 336, 33-39.
DOI: 10.1016/j.cattod.2019.03.054
2.E.G. Kamyshova, A.A. Skorynina, et al. Radiation Physics and Chemistry, in press. DOI: 10.1016/j.radphyschem.2019.02.003
3.A.A. Skorynina, et al. Radiation Physics and Chemistry, in press.
DOI: 10.1016/j.radphyschem.2018.11.033
4.A. Bugaev, A. Skorynina, et al. Data in Brief (2019), 25, 104280. DOI: 10.1016/j.dib.2019.104280
5.A. Bugaev, V. Polyakov, A. Tereshchenko, A. Isaeva, A. Skorynina, et al. Metals, 8 (2018) 135. DOI: 10.3390/met8020135


11:45am - 12:05pm
ID: 706 / MS-63: 5
Methods and instruments
Oral/poster
MS: Spectroscopy applied to electrochemistry: operando studies, Catalysis: functionalized materials studied by XRD and XAFS
Keywords: In operando total scatering; catalysts, fuel cells

Structural dynamics of nanoalloy catalysts for Fuel Cells by in situ total x-ray scattering

Valeri Petkov

Central Michigan University, Mount Pleasant, United States of America



12:05pm - 12:25pm
ID: 413 / MS-63: 6
Bursary application
Oral/poster
MS: Materials for energy conversion and storage, Crystal chemistry with emerging technology, Catalysis: functionalized materials studied by XRD and XAFS, Energy Materials
Posters only: Structural studies for environmental sciences, Chemical crystallography, crystal structures (if it does not fit to any specific topics)
Keywords: Water-Reduction-Catalysts (WRC); Photo-Catalysis; Cobalt; Coordination Chemistry.

The Hopeful Journey Towards Successful Tailoring Of Water (In)Soluble Cobalt Analogues As Potential Water Splitting Catalysts.

Orbett Alexander1, Roger Alberto2, Andreas Roodt1

1Dept. of Chemistry, University of the Free State, Bloemfontein, 9300, South Africa; 2Dept. of Chemistry, University of Zürich, Winterthurerstrasse 190, Zürich, Switzerland.

Bibliography
1.Authors: Orbett T. Alexander, Alice Brink, Hendrik G. Visser.
Title: The crystal structure of bis-[(di-5,7-dichloro-8-hydroxyquinolinidol-κ-O,N)-5,7-dichloro-8-hydroxyquinolinido-κ-O,N-O-methanolato europium(III)] toluene solvate
Reference: Zeitschrift für Kristallographie - New Crystal Structures: NCRS-2019-0606
DOI: https://doi.org/10.1515/ncrs-2019-0606
2019

2.Authors: Orbett T. Alexander, Robin E. Kroon, Alice Brink, Hendrik G. Visser.
Tittle: Symmetry Correlations Between Crystallographic and Photoluminescence Study of Ternary ß-Diketone Europium (III) Based Complexes Using 1,10-Phenanthroline As The Ancillary Ligand.
Reference: Dalton Transactions
DOI: https://doi.org/10.1039/C9DT02580D
2019

3.Authors: Stefanus Otto, Orbett T. Alexander, Andreas Roodt
Title: Structure and reactivity relationships in trans-[PtPh(L) 2 Cl] as observed from Cl- anation by I- upon interchanging phosphine, arsine and stibine (L) ligands
Reference: South African Journal for Natural Science and Technology: SATNT 731
2019

4.Authors: Amanda-Lee E. Manicum, Marietjie Schutte-Smith, Orbett T. Alexander, Hendrik G. Visser, Andreas Roodt
Title: First kinetic data of the CO substitution in fac-[Re(L,L′-Bid)(CO)3(X)] complexes (L,L′-Bid = acacetylacetonate or tropolonate) by tertiary phosphines PTA and PPh3: Synthesis and crystal structures of water-soluble rhenium(I) tri- and dicarbonyl complexes with 1,3,5-triaza-7-phosphaadamantane (PTA)
Reference: Inorganic Chemistry Communications 101
DOI: https://doi.org/10.1016/j.inoche.2019.01.014
2019

5. Authors: Amanda-Lee Manicum, Orbett Alexander, Marietjie Schutte-Smith, Hendrik G Visser
Title: Synthesis, characterization and substitution reactions of fac-[Re(O,O′-bid)(CO)3(P)] complexes, using the ""2+1"" mixed ligand model
Reference: Journal of Molecular Structure - 1209:127953
DOI: 10.1016/j.molstruc.2020.127953
2020


12:25pm - 12:45pm
ID: 764 / MS-63: 7
Materials and minerals
Oral/poster
MS: Materials for energy conversion and storage, Catalysis: functionalized materials studied by XRD and XAFS
Keywords: Photocatalysis, Hydrogen Evolution

Structural and bandgap modification of KLaTiO4 hydrogen evolution catalyst

Junwei Ben Li, Brendan J. Kennedy, Christopher D. Ling, Thomas Maschmeyer

The University of Sydney, Sydney, Australia