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hendon materials simulation

hms oregon


A computational materials chemistry research group at the University of Oregon.

Research Overview

Research overview


Our group uses quantum chemical simulations to study mechanisms of electrical charge conduction, defect formation, and chemical kinetics in hybrid organic-inorganic materials (see Chem. Rev. 2020). We share a particular interest in metal-organic frameworks possessing redox active moieties (see Science 2020), and materials whose properties are not ascertained from crystallography (see J. Am. Chem. Soc. 2021). We also have an ongoing interest in those with unusual physics (e.g. spin liquids, multiferroics; see Nat. Mater. 2020). The group is highly collaborative, working closely with experimentalists both within the USA and beyond.


Defects and doping in metal-organic frameworks
Metal-organic frameworks (MOFs) offer a combination of compositional and topological diversity, making them unique platforms for studying structure-function relationships in catalysis and energy conversion. As a result these hybrid materials have garnered increased interest over the past two decades due to their potential applications in gas storage and separation, catalysis, sensors, and as battery materials. But, like most semiconductors, the bulk material derives its properties from defects. These defects come in many forms ranging from local redox events to long range diminished crystallographic order. Substitutions, vacancies, and interstitial defects are considered, with an emphasis on protonic and proton-coupled electronic imperfections. The latter is particularly interesting in both hydrogenation catalysis, and as a mechanicm for tuning the Fermi level in conductive materials. We are also interested in amorphization, dynamic local bonding, and polymorphism in MOFs, but these properties are markedly more rare.

Essentially every member of the group is working towards understand the emergent properties from defects in MOFs. Here are a couple of recent papers on the topic: J. Am. Chem. Soc. 2021 and Chem. Sci. 2021.


Electron energies and their applications in energy storage and catalysis
The ionization potential/workfunction and electron affinity are two intrinsic properties that play a critical role in determining material reactivity. Predictions of reactivity can be made with knowledge of the alignment of valence/occupied and conduction/unoccupied orbitals. These values are readily obtained from quantum chemical simulations. Three general types of band alignments are possible; Type I where one material's bands sit mid gap relative to a neighbouring material, Type II where charge transfer from one material to another is enabled by the input of some form of energy, and Type III where a material will spontaneously reduce another.

Our group seeks to study the significance of the electronic band gap, the ionization potential, and the electronic affinity in transition metal clusters and cluster-containing materials. In doing so, we seek to develop a general manifold in which to predict material applications in catalysis, as conductors in transistors, and beyond. Here are a couple of recent papers on the topic: Proc. Nat. Acad. Sci. USA 2022 and ACS Materials Lett. 2022.

Modeling and material science of coffee
Since 2014, our group has had a parallel interest in the chemistry and physics of coffee extraction. This topic is suprisingly understudied, despite the coffee sector composing 1.5% of the US gross domestic product in 2015. Our central focus is on the interfacial chemical processes that give rise to differences in chemical compositions in brewed coffee, and developing methods to assess qualities in such beverages. The lab uses a variety of experimental techniques to study these properties, but has expertise in laser diffraction particle size analyses and aqueous electrochemistry. We also use modeling to isolate extraction parameters, allowing for systematic improvement of coffee quality. Naturally, we work closely with industry and are always happy to have visitors in the lab.

Here are a couple of recent papers on the topic: Matter 2020 and A couple more big ones, coming soon!.






The research group


Chris Hendon

Associate Professor
BSc. Adv. Hons., Ph.D.
Monash, Bath, MIT
Curriculum Vitae, Scholar

Tekalign T. Debela

Postdoctoral Associate
M.Sc., Ph.D.
Addis Ababa, Zhejiang
Scholar

Parker Brodale

Graduate student
B.S. Chemistry
Utah
Scholar

Doran Pennington

Graduate student
B.S. Chem., M.S. Chem.
UT Austin, UCLA
Scholar

Brian Diamond

Graduate student
B.S. Chemistry
Colorado State
Scholar

Robin E. Bumbaugh

Graduate student
B.S. Chemistry/Biochemistry
Cal. State Chico
Scholar

Eoghan Gormley

Graduate student
Western Washington
B.S. Math, B.M. Voc. Perf.
Scholar

Lena Wehn

Undergraduate student
Multidis. Sci. Major
Oregon
Scholar

Eli Rheingold

Undergraduate student
Human Phys. Major
Oregon
Scholar

Jasper Sterling

Undergraduate student
Chemistry Major
Oregon
Scholar

Julio Miranda

Undergraduate student
Biochemistry Major
Oregon
Scholar

Maggie French

Undergraduate student
Biology Major
Oregon
Scholar

Matthew Sciprint

Visiting Scholar
Materials Science

Scholar



Interested in working with us?

The HMS Oregon group sits in 436 Lewis Integrative Sciences Building on the north east corner of campus. If space permits, we are always accepting motivated undergraduate researchers on either a volunteer or for-credit basis. Please get in touch with Prof. Hendon and swing by the group office to have a talk to them about what they are up to!

The University of Oregon is the premier R1 institution in the state of Oregon. All interested graduate students are strongly encouraged to apply through the University of Oregon Chemistry Department. HMS Oregon is always looking for talented graduate students. Contact Prof. Hendon via email for the group's dream, talk to the students for the group's reality.

Postdoctoral scholars are also encouraged to contact Prof. Hendon. Positions fluctuate depending on funding opportunities. At the moment HMS Oregon is unable to support postdoctoral scholars.

Coffee.

Prof. Hendon's interest in coffee began during his PhD, where he worked closely with Lesley and Maxwell Colonna-Dashwood (Colonna Coffee). Their early efforts lead to the publication of Water For Coffee (Version 2 is coming), a chemistry handbook intended for the coffee community, as well as a peer reviewed article published in J. Agric. Food Chem. Water chemistry laid the foundation for Maxwell's 2014 World Barista Championship routine.

Later, we studied how coffee fractures in a grinder - this study was then used by Kyle Ramage in his 2017 World Barista Championship routine.

Then, in 2020 we published a study on how to systematically improve espresso reproducibility. Other coffee related publications can be found in our coffee literature folder.

Presently, Prof. Hendon collaborates internationally with coffee professionals and academics (COHOP collaboration) tackling fundamental problems in coffee. There is an ongoing effort to establish a coffee research laboratory at the University of Oregon, which will sit at the intersection of chemistry, physics, biology, psychology, and mathematics. If you want to hear more about this topic, or have some interesting anecdotes about coffee please email Prof. Hendon.

Contact and links


+1 541-346-2637


Room 429, LISB
Department of Chemistry
1253 University of Oregon
Eugene, OR, 97403



07/31/2023


Copyright C. H. Hendon