Jiajun Hu will defend his doctoral dissertation, “Metal Oxides, Carbides, and Phosphides for Supercapacitors and Electrocatalysis,” on July 29, 2024, at 11:00 a.m. in the Cubo Rojo Auditorium, Building 8E, Entrance J, 3rd Floor. Polytechnic City of Innovation, Polytechnic University of Valencia (CPI-UPV).

More information:

Director: Hermenegildo García Gómez; Josep Albero Sancho
Doctoral programme: PhD in Sustainable Chemistry
Research team: Heterogeneous Catalysis and Clean Fuels from Alternative Sources to Petroleum

On July 12, 2024, a new session of the ITQ Severo Ochoa Lecture will take place in the ITQ (UPV-CSIC) Auditorium.

The speakers on this occasion are Bingjun Xu, professor at the College of Chemistry and Molecular Engineering at Peking University, China; Lichen Liu, Department of Chemistry, Tsinghua University, Beijing, China; and Feng-Shou Xiao, College of Chemical Engineering, Zhejiang University, Hangzhou, China.

 

All the information:

9:00h – 9:50h – Prof. Bingjun Xu “Activation of light alkanes at room temperature with molecular oxygen on Cu-based materials”

Professor at the College of Chemistry and Molecular Engineering of Peking University, China.

Abstract:

Selective activation of C–H bonds in light alkanes at mild conditions is challenging but holds the promise of efficient upgrading of abundant hydrocarbons. In this talk, we discuss our recent discovery of selective activation methane, ethane and propane on metallic Cu with O₂ in the presence of an aqueous phase acid. Cu⁺ was identified as the likely active center, which led to the discovery of Cu⁺ stabilized in zeolites capable of propane activation at ambient conditions with a ~95% selectivity for propylene. Diffuse reflectance ultraviolet spectroscopy indicated the presence of both Cu⁺-O₂ and Cu₂(μ-O₂)²⁺ species in the zeolite pores during reaction and electron paramagnetic resonance results showed that propane activation occurred via a radical-mediated pathway distinct from that with H₂O₂ as the oxidant. Correlation between spectroscopic and reactivity results on Cu(I)-ZSM-5 with different Cu loadings suggested that the isolated introporous Cu(I) species was the main active species in the propane activation.

Biography:

Dr. Bingjun Xu is the Ge Li and Ning Zhao Chair Professor at the College of Chemistry and Molecular Engineering of Peking University. Dr. Xu received his Ph.D. in Physical Chemistry, advised by Profs. Friend and Madix, from Harvard University in 2011, and then worked with Prof. Davis at Caltech as a postdoctoral researcher. Dr. Xu started his independent research career in the Department of Chemical & Biomolecular Engineering at University of Delaware in 2013 as an Assistant Professor, and was promoted to a Centennial Development Associate Professor in 2019. Dr. Xu joined the College of Chemistry and Molecular Engineering of Peking University in 2020. The current research interest of the Xu lab spans heterogeneous catalysis, electrocatalysis and in-situ/operando spectroscopy. Dr. Xu is an awardee of US NSF Early Career Award (2017), US Air Force Office of Scientific Research Young Investigator Award (2016), ACS Petroleum Research Fund Doctoral New Investigator Award (2015), the I&EC Class 2018 Influential Researchers (2018), Early Career Fellow of the I&EC (2022). Dr. Xu’s research focuses on interfacial catalytic reactions with applications in the area of renewable energy, CO₂ capture and upgrade, and hydrocarbon conversion. He published more than 140 peer reviewed articles with an H index of 56 (Google Scholar).

 

9:50h – 10:10h – A. Prof. Lichen Liu “Recent progress in zeolite-confined subnanometer metal catalysts”

Department of Chemistry, Tsinghua University, Beijing, China.

Abstract:

Zeolite-confined subnanometer metal catalysts are emerging materials in heterogeneous catalysis because these types of materials can combine the unique advantages of subnanometer metal clusters and the shape-selective properties of the zeolite framework surrounding the metal species. In this talk, I will present some recent progress in my lab at Tsinghua University on zeolite-confined metal catalysts, covering from the materials synthesis, dynamic structural transformations and catalytic applications.

 

10:10h – 11:00h Prof. Feng-Shou Xiao “New Strategy for Zeolite Synthesis and Preparation of Efficient Zeolite-Based Catalysts”

College of Chemical Engineering, Zhejiang University, Hangzhou, China

Abstract:

In general, zeolites are synthesized in the presence of costly organic templates under hydrothermal conditions by trial-and-error method in the presence of alkali or fluoride species. The trial-and-error method is costly and the use of alkali or fluoride species results in reduction of zeolite yields due to the dissolution of silica-based species in the presence of alkali or fluoride species. In our group, we developed new strategies for zeolite synthesis, including design of organic templates for directing the formation of zeolites by theoretical simulations for the interaction between organic templates and zeolite framework, atom-economic synthesis of zeolites under near neutral conditions. For zeolite catalysis, it is designed zeolite-based catalysts from adjusting adsorbate species on the catalyst surface by Le Chatelier’s Principle. We have shown that enriching reactants and intermediates and fast transfer of products significantly enhance the catalytic activity and selectivity in a series of reactions.

 

On July 12 at 11:30 a.m., Yongkun Zheng will defend his doctoral dissertation, “Carbene reactions catalyzed by silver-supported or metal-free microporous solids,” in the ITQ (UPV-CSIC) Auditorium.

More information:
Director: Antonio Leyva Perez; Marta Mon Conejero
Tutor: Antonio Eduardo Palomares Gimeno
Doctoral programme: PhD in Sustainable Chemistry
Research team: Heterogeneous Catalysis and Clean Fuels from Alternative Sources to Petroleum

 

On Friday, July 5, 2024, at 12:00 p.m. in the ITQ (UPV-CSIC) Auditorium, the ITQ Severo Ochoa Lecture, titled “Ion Transport in Oxide Electrolytes for Energy Conversion,” will take place.

Manfred Martin, Professor of Physical Chemistry at the Institute of Physical Chemistry, RWTH Aachen University, and Adjunct Professor in the Department of Materials Science and Engineering at Seoul National University, has been invited to deliver the presentation.

 

Abstract:

Ion transport in oxides plays a significant role in energy and environmental applications. Important examples are oxygen ion and proton conducting oxides for electrolytes in electrolyzers and fuel cells.

I will present our theoretical approaches to understand these ionic transport processes in detail. We use density-functional theory (DFT) to calculate on a microscopic level defect interaction energies and migration energies of the defects that enable ionic motion. By means of Kinetic Monte Carlo (KMC) simulations we then predict macroscopic ion mobilities and ion conductivities on an ab initio level, i.e. without any adjustable parameters. As first example we will discuss rare-earth doped ceria. We show that all interactions between defects contribute to the so-called conductivity maximum of the ionic conductivity [1]. The second example concerns BaZrO₃-based oxides which are proto-type proton conductors. We show that the proton mobility is determined by nanoscale percolation of dopant ions which enables high proton mobility [2]. Finally, the understanding and comparison of the microscopic jump processes of oxygen vacancies and of protons in acceptor-doped BaZrO₃ are used to propose a simple descriptor for the influence of a dopant on the ionic conductivities, of oxygen ions and of protons as well. This new descriptor allows an easy screening of various dopants.

 

[1] J. Koettgen, S. Grieshammer, P. Hein, B. Grope, M. Nakayama, M. Martin,

Phys. Chem. Chem. Phys. 20, 14291 (2018).

[2] F.M. Draber, C. Ader, J.P. Arnold, S. Eisele, S. Grieshammer, S. Yamaguchi, M. Martin, Nature Mater. 19, 338 (2020).

[3] F.M. Draber, J.R. Denninger, P.C. Müller, I.K. Sommerfeld, M. Martin,

Adv. Energy Sustainability Res. (2022) 2200007.

On Wednesday, July 3, 2024, the ITQ Severo Ochoa Lecture, titled “Establishing New Paradigms in the Design of Heterogeneous Catalysts,” will take place.

The presentation will be given by Jeffrey D. Rimer, Professor of Chemical Engineering in the Department of Chemical and Biomolecular Engineering at the University of Houston.

The event will take place at 12:00 p.m. in the ITQ (UPV-CSIC) Auditorium.

 

Abstract:

This talk will address recent progress in the design of zeolite and metal oxide catalysts. A common objective of zeolite catalyst design is to overcome the inherent mass transport limitations of nanopores; however, the complex pathways of zeolite crystallization make it difficult to control their physicochemical properties. In this talk, I will highlight several methods to tailor zeolite crystal size, morphology, and composition in ways that reduce diffusion limitations and/or control acid siting, thereby enabling the design of catalysts with superior performance compared to materials obtained by conventional synthesis routes. Our research has explored methods of structure direction employing organics, inorganics, and combinations thereof to reduce synthesis times and tailor physicochemical properties. Additional studies of zeolite synthesis have shown how heteroatoms can be integrated in both conventional and hierarchical zeolites to enhance catalyst performance.4 Among the hierarchical zeolites we have recently synthesized are self-pillared pentasils that exhibit four-fold increases in both catalyst lifetime and total turnovers; and a new class of catalysts, referred to as finned zeolites, which are prepared by seeded growth to introduce fin-like protrusions with identical crystallographic registry as the interior crystal. The second part of the talk will focus on metal oxides where we have demonstrated how the use of molten salts can tailor crystal habit to yield structured catalysts with high index facets not easily obtained by conventional synthesis techniques. Advances in the design of mixed metal oxides using molten salts have led to the discovery of exceptional and highly durable catalysts for the oxidative coupling of methane reaction.

 

Jeffrey D. Rimer’s biography:

Jeff Rimer is the Abraham E. Dukler Endowed Chair and Professor of Chemical Engineering at the University of Houston. Jeff received B.S. degrees in Chemical Engineering and Chemistry from Washington University in St. Louis and Allegheny College, respectively. He received his Ph.D. in Chemical Engineering from the University of Delaware and spent two years as a postdoctoral fellow at New York University prior to joining Houston in 2009. Jeff’s research in the area of crystal engineering focuses on the rational design of materials with specific applications in the synthesis of microporous catalysts and adsorbents, and the development of therapeutics to inhibit crystal formation in pathological diseases. Jeff is a Senior Member of the National Academy of Inventors and has received numerous awards. He is an executive committee member for the International Zeolite Association and has chaired two Gordon Research Conferences on Crystal Growth & Assembly and Nanoporous Materials & Their Applications. Jeff is also an Associate Editor of Crystal Growth & Design and serves on the advisory boards for the AIChE Journal, Molecular Systems Design & Engineering, Reaction Chemistry & Engineering, and Green Carbon.