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Mechanisms of monovacancy diffusion in graphene (2016)
Journal Article
Wadey, J. D., Markevich, A., Robertson, A., Warner, J., Kirkland, A., & Besley, E. (2016). Mechanisms of monovacancy diffusion in graphene. Chemical Physics Letters, 648, 161-165. https://doi.org/10.1016/j.cplett.2016.02.005

A comprehensive investigation of monovacancy diffusion in graphene has been carried out with the use of density functional theory and the climbing image nudged elastic band method. An out-of-plane spiro structure is found for the first-order saddle p... Read More about Mechanisms of monovacancy diffusion in graphene.

Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale (2016)
Journal Article
Zoberbier, T., Chamberlain, T. W., Biskupek, J., Suyetin, M., Majouga, A. G., Besley, E., Kaiser, U., & Khlobystov, A. N. (2016). Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale. Small, 12(12), 1649-1657. https://doi.org/10.1002/smll.201502210

The nature and dynamics of bonding between Fe, Ru, Os, and single-walled carbon nanotubes (SWNTs) is studied by aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM). The metals catalyze a wide variety of different transfor... Read More about Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale.

Electron beam controlled covalent attachment of small organic molecules to graphene (2016)
Journal Article
Markevich, A., Kurasch, S., Lehtinen, O., Reimer, O., Feng, X., Müllen, K., Turchanin, A., Khlobystov, A. N., Kaiser, U., & Besley, E. (2016). Electron beam controlled covalent attachment of small organic molecules to graphene. Nanoscale, 8(5), 2711-2719. https://doi.org/10.1039/c5nr07539d

The electron beam induced functionalization of graphene through the formation of covalent bonds between free radicals of polyaromatic molecules and CC bonds of pristine graphene surface has been explored using first principles calculations and high-r... Read More about Electron beam controlled covalent attachment of small organic molecules to graphene.

Transmission Electron Microscopy: Isotope Substitution Extends the Lifetime of Organic Molecules in Transmission Electron Microscopy (Small 5/2015) (2015)
Journal Article
Chamberlain, T. W., Biskupek, J., Skowron, S. T., Bayliss, P. A., Bichoutskaia, E., Kaiser, U., & Khlobystov, A. N. (2015). Transmission Electron Microscopy: Isotope Substitution Extends the Lifetime of Organic Molecules in Transmission Electron Microscopy (Small 5/2015). Small, 11(5), 510-510. https://doi.org/10.1002/smll.201570027

Decreasing the energy of the electron beam in transmission electron microscopy (TEM) improves the stability of inorganic molecules, however, organic molecules become surprisingly less stable under these conditions. On page 622, E. Bichoutskaia, U. Ka... Read More about Transmission Electron Microscopy: Isotope Substitution Extends the Lifetime of Organic Molecules in Transmission Electron Microscopy (Small 5/2015).

Adsorbate-induced curvature and stiffening of graphene (2014)
Journal Article
Svatek, S. A., Scott, O. R., Rivett, J. P., Wright, K., Baldoni, M., Bichoutskaia, E., Taniguchi, T., Watanabe, K., Marsden, A. J., Wilson, N. R., & Beton, P. H. (2015). Adsorbate-induced curvature and stiffening of graphene. Nano Letters, 15(1), https://doi.org/10.1021/nl503308c

The adsorption of the alkane tetratetracontane (TTC, C44H90) on graphene induces the formation of a curved surface stabilized by a gain in adsorption energy. This effect arises from a curvature-dependent variation of a moiré pattern due to the mismat... Read More about Adsorbate-induced curvature and stiffening of graphene.

A Robust Binary Supramolecular Organic Framework (SOF) with High CO2 Adsorption and Selectivity (2014)
Journal Article
Lü, J., Perez-Krap, C., Suyetin, M., Alsmail, N. H., Yan, Y., Yang, S., Lewis, W., Bichoutskaia, E., Tang, C. C., Blake, A. J., Cao, R., & Schröder, M. (2014). A Robust Binary Supramolecular Organic Framework (SOF) with High CO2 Adsorption and Selectivity. Journal of the American Chemical Society, 136(37), 12828-12831. https://doi.org/10.1021/ja506577g

A robust binary hydrogen-bonded supramolecular organic framework (SOF-7) has been synthesized by solvothermal reaction of 1,4-bis-(4-(3,5-dicyano-2,6 dipyridyl)dihydropyridyl)benzene (1) and 5,5’-bis-(azanediyl)-oxalyl-diisophthalic acid (2). Single... Read More about A Robust Binary Supramolecular Organic Framework (SOF) with High CO2 Adsorption and Selectivity.

A Novel Bismuth-Based Metal-Organic Framework for High Volumetric Methane and Carbon Dioxide Adsorption (2014)
Journal Article
Savage, M., Yang, S., Suyetin, M., Bichoutskaia, E., Lewis, W., Blake, A. J., Barnett, S. A., & Schröder, M. (2014). A Novel Bismuth-Based Metal-Organic Framework for High Volumetric Methane and Carbon Dioxide Adsorption. Chemistry - A European Journal, 20(26), 8024-8029. https://doi.org/10.1002/chem.201304799

Solvothermal reaction of H4L (L = biphenyl-3,3’,5,5’-tetracarboxylate) and Bi(NO3)3·(H2O)5 in a mixture of DMF/MeCN/H2O in the presence of piperazine and nitric acid at 100 oC for 10 h affords the solvated metal-organic polymer [Bi2(L)1.5(H2O)2]·(DMF... Read More about A Novel Bismuth-Based Metal-Organic Framework for High Volumetric Methane and Carbon Dioxide Adsorption.

Analysis of High and Selective Uptake of CO2in an Oxamide-Containing {Cu2(OOCR)4}-Based Metal-Organic Framework (2014)
Journal Article
Alsmail, N. H., Suyetin, M., Yan, Y., Cabot, R., Krap, C. P., Lü, J., Easun, T. L., Bichoutskaia, E., Lewis, W., Blake, A. J., & Schröder, M. (2014). Analysis of High and Selective Uptake of CO2in an Oxamide-Containing {Cu2(OOCR)4}-Based Metal-Organic Framework. Chemistry - A European Journal, 20(24), 7317-7324. https://doi.org/10.1002/chem.201304005

The porous framework [Cu2(H2O)2L].4H2O.2DMA ((H¬4¬L = oxalylbis(azanediyl)diisophthalic acid; DMA = N,N-dimethylacetamide), denoted NOTT-125, is formed by connection of {Cu2(RCOO)4} paddlewheels with the isophthalate linkers in L4-. A single crystal... Read More about Analysis of High and Selective Uptake of CO2in an Oxamide-Containing {Cu2(OOCR)4}-Based Metal-Organic Framework.