Density functional theory simulations of complex hydride and carbon-based hydrogen storage materials von Shevlin, S A, Guo, Z X

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Dehydrogenation mechanisms and thermodynamics of MNH2BH3 (M = Li, Na) metal amidoboranes as predicted from first principles von SHEVLIN, S. A, KERKENI, B, GUO, Z. X

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Advances in computational studies of energy materials von Catlow, C. R. A., Guo, Z. X., Miskufova, M., Shevlin, S. A., Smith, A. G. H., Sokol, A. A., Walsh, A., Wilson, D. J., Woodley, S. M.

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Multiscale simulation of onset plasticity during nanoindentation of Al (0 0 1) surface von Jin, J., Shevlin, S.A., Guo, Z.X.

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MgH2 Dehydrogenation Thermodynamics: Nanostructuring and Transition Metal Doping von Shevlin, S. A., Guo, Z. X.

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Bubbles and microporous frameworks of silicon carbide von Watkins, M B, Shevlin, S A, Sokol, A A, Slater, B, Catlow, C R A, Woodley, S M

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Electronic and Optical Properties of Doped and Undoped (TiO2) n Nanoparticles von Shevlin, S. A, Woodley, S. M

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Coherent electron-phonon coupling and polaronlike transport in molecular wires von Ness, H., Shevlin, S. A., Fisher, A. J.

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Construction of nano- and microporous frameworks from octahedral bubble clusters von Woodley, S M, Watkins, M B, Sokol, A A, Shevlin, S A, Catlow, C R A

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Calcium-Based Functionalization of Carbon Materials for CO2 Capture: A First-Principles Computational Study von Cazorla, C, Shevlin, S. A, Guo, Z. X

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Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters von Shevlin, S A, Guo, Z X, van Dam, H J J, Sherwood, P, A Catlow, C R, Sokol, A A, Woodley, S M

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High-Capacity Room-Temperature Hydrogen Storage in Carbon Nanotubes via Defect-Modulated Titanium Doping von Shevlin, S. A, Guo, Z. X

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Structure and Defect Chemistry of Low- and High-Temperature Phases of LiBH4 von Shevlin, S. A, Cazorla, C, Guo, Z. X

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Hydrogen sorption in defective hexagonal BN sheets and BN nanotubes von Shevlin, S. A., Guo, Z. X.

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First-principles study of the stability of calcium-decorated carbon nanostructures von Cazorla, C., Shevlin, S. A., Guo, Z. X.

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Transition-metal-doping-enhanced hydrogen storage in boron nitride systems von Shevlin, S. A., Guo, Z. X.

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Respecting the Voices of Individuals from Marginalised Communities in Research

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Structure and Defect Chemistry of Low- and High-Temperature Phases of LiBH 4 von Shevlin, S. A., Cazorla, C., Guo, Z. X.

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MgH 2 Dehydrogenation Thermodynamics: Nanostructuring and Transition Metal Doping von Shevlin, S. A., Guo, Z. X.

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Series of ( n × 2 ) Si-rich reconstructions of β-SiC(001):  A prospective atomic wire von Shevlin, S. A., Fisher, A. J., Hernández, E.

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