Congratulations to Ross and Krishna

Congratulations to Ross Verploegh and Krishna Chandran Jayachandrababu, who have both successfully passed their PhD proposals.

New Publications - Aug 2014

Congratulation to Dieh and Hakan for their new publications. You may find their latest works in,

Adsorption and diffusion of Rh and Au dimers and trimers on graphene/Ru(0001)
Dieh Teng and David S. Sholl
Surface Science, 2014, 626,  pp 6–13

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8
Marie V. Parkes, Hakan Demir, Stephanie L. Teich-McGoldrick, David S. Sholl, Jeffery A. Greathouse, and Mark D. Allendorf
Microporous and Mesoporous Materials, 2014, 194, pp 190–199

What We Are Reading

July 28th, 
Methane Storage in Metal-Substituted Metal−Organic Frameworks: Thermodynamics, Usable Capacity, and the Impact of Enhanced Binding Sites
Malay Kumar Rana, Hyun Seung Koh, Haroon Zuberi, and Donald J. Siegel

JPC C, 2014, 118 , pp 2929-2942

July 29th, 
Calculations of complex surface structures based on the example of (4 × 2) InAs (001)
D. Toton and J.J. Kolodziej

Surf Sci, 2014, 623 , pp 41-46

What We Are Reading

July 22nd, 
Solvothermal Synthesis and Electrochemical Characterization of Shape-Controlled Pt Nanocrystals
Cenk Gumeci, Archis Marathe, Rachel L. Behrens, Jharna Chaudhur, and Carol Korzeniewski

JPC C, 2014, 118 , pp 14433-14440

What We Are Reading

July 7th, 
Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations
Daniel Holden, Kim E. Jelfs, Abbie Trewin, David J. Willock, Maciej Haranczyk, and Andrew I. Cooper

JPC C, 2014, 118 , pp 12734-12743

What We Are Reading

June 30th, 

Tunable Electrical Conductivity in Metal-Organic Framework Thin-Film Devices

A. Alec Talin, Andrea Centrone, Alexandra C. Ford, Michael E. Foster, Vitalie Stavila, Paul Haney, R. Adam Kinney, Veronika Szalai, Farid El Gabaly, Heayoung P. Yoon, François Léonard, Mark D. Allendorf
Science, 2014, 343 , pp 66-69

What We Are Reading

June 23th, 

Rationally tuned micropores within enantiopure metal-organic frameworks for highly selective separation of acetylene and ethylene

Sheng-Chang Xiang, Zhangjing Zhang, Cong-Gui Zhao, Kunlun Hong, Xuebo Zhao, De-Rong Ding, Ming-Hua Xie, Chuan-De Wu, Madhab C. Das, Rachel Gill, K. Mark Thomas & Banglin Chen
Nat. Comm., 2011, 2 (204), pp 1–7

June 24th,

Functional links between stability and reactivity of strontium ruthenate single crystals during oxygen evolution

Seo Hyoung Chang, Nemanja Danilovic, Kee-Chul Chang, Ram Subbaraman, Arvydas P. Paulikas, Dillon D. Fong, Matthew J. Highland, Peter M. Baldo, Vojislav R. Stamenkovic, John W. Freeland, Jeffrey A. Eastman & Nenad M. Markovic
Nat. Comm., 2014, 5 (4191), pp 1–9

What We Are Reading

June 16th, 
Large-Scale Quantitative Structure−Property Relationship (QSPR) Analysis of Methane Storage in Metal−Organic Frameworks
Michael Fernandez and Tom K. Woo
J. Phys. Chem. C, 2013, 117 (15), pp 7681–7689

June 17th,
Multiferroic Materials Based on Organic Transition-Metal Molecular Nanowires
Menghao Wu, J. D. Burton, Evgeny Y. Tsymbal, Xiao Cheng Zeng, and Puru Jena
J. Am. Chem. Soc., 2012, 134 (35), pp 14423–14429

Correction: Congratulations to Kelly

Dr. Kelly Nicholson will be joining Praxair, Inc. rather than Air Liquide.

Congratulations to Kelly

Congratulations to Kelly Nicholson, who recently successfully defended her PhD thesis. Kelly will be moving to a job with Air Liquide.

Congratulations to Dieh, Liwei, and Nita

Congratulations to Dieh, Liwei, and Nita, who have all successfully defended their PhD theses in the past few days. Finishing a PhD is always a major accomplishment, and we look forward to watching all three go on to bigger and better things!

What We Are Reading

March 24th, 
Understanding Hydrocarbon Adsorption in the UiO-66 Metal Organic Framework: Separation of (Un)satured Linear, Branched, Cyclic Adsorbates, Including Stereoisomers
T. Duerinck, R. Bueno-Perez, F. Vermoortele, D. E. De Vos, S. Calero, G. V. Baron, and J. F. M. Denayer
J. Physical Chemistry C, 117, 12567 (2013)

March 10th,
Zeolitic Imidazolate Framework 8 (ZIF-8)
From "Diffusion in Nanoporous Materials" by Jorg Karger, (Wiley)

What We Are Reading

Feb. 3rd
Cytotoxicity of nanoscaled metal–organic frameworks
C. Tamames-Tabar, D. Cunha, E. Imbuluzqueta, F. Ragon, C. Serre, M. J. Blanco-Prieto, and P. Horcajada. Journal of Materials Chemistry B 2, 262 (2014).

Congratulations Dieh

Congratulations to Dieh, whose paper on diffusion of transition metal adatoms on Ru-supported graphene has appeared in print: B. F. Habenicht, D. Teng, L. Semidey-Flecha, D. S. Sholl, and Y. Xu, Topics in Catalysis 57 (2014) 69 (DOI:10.1007/s11244-013-0163-6)

David's Book

David's book, "Density Functional Theory: A Practical Introduction" has recently been translated and published in Turkish. More information here: https://www.nobelkitap.com/kitap_48282_yogunluk-fonksiyonel-teorisi.html

What We are Reading

Jan 27th,
 
Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels
Z.R. Herm, B.M. Wiers, J.A. Mason, J.M. van Baten, M.R. Hudson, P. Zajdel, C.M. Brown,
N. Masciocchi, R. Krishna, and J.R. Long. Science 340, 960 (2013).

Jan 21st,

DFT Study of the Chemistry of Sulfur in Graphite, Including Interactions with Defects, Edges and Folds  J-J. Adjizian, C.D. Latham, S. Oberg, P.R. Briddon, and M.I. Heggie. Carbon 62, 256 (2013).

Jan 14th,
 
Wetting Transparency of Graphene  J. Rafiee, X. Mi, H. Gullapalli, A.V. Thomas, F. Yavari, Y. Shi, P.M. Ajayan, and N.A. Koratkar. Nature Materials 11, 217 (2012).

Jan 6th,

Solid-Solid Collapse Transition in a Two Dimensional Model Molecular System
R.S. Singh and B. Bagchi. J. Chem. Phys. 139, 194702 (2013).