Items where Author is "Shuttleworth, IG"

SHUTTLEWORTH, I.G., 2023. Moments analysis of the binding of metal, oxygen and hydrogen atoms to strained Co(0001), Ru(0001) and Os(0001). Chemical Physics, 566: 111788. ISSN 0301-0104

SHUTTLEWORTH, I.G., 2022. The influence of steric and ligand effects on metal- and alloy-supported oxygenated and hydrogenated Pt(111). Science Talks, 3: 100025. ISSN 2772-5693

SHUTTLEWORTH, I.G., 2022. On length scales and approximations in the modelling of applied surface science phenomena. Science Talks, 2: 100006. ISSN 2772-5693

SHUTTLEWORTH, I.G., 2020. The magnetic band-structures of ordered PtxFe1−x, PtxCo1−x, and PtxNi1−x (x = 0.25, 0.50, and 0.75). Magnetochemistry, 6 (4): 61. ISSN 2312-7481

SHUTTLEWORTH, I.G., 2020. On the role of the van der Waals interaction in gecko adhesion: a DFT perspective. Results in Materials, 6: 100080. ISSN 2590-048X

SHUTTLEWORTH, I.G., 2019. Efficient methods of X-ray diffraction pattern inversion. Results in Physics, 15: 102605. ISSN 2211-3797

SHUTTLEWORTH, I.G., 2018. The quasiparticle band structures of ordered NixPt1-x. Heliyon, 4 (12): e01000. ISSN 2405-8440

SHUTTLEWORTH, I.G., 2018. Binding site transitions across strained oxygenated and hydroxylated Pt(111). ChemistryOpen, 7 (5), pp. 356-369. ISSN 2191-1363

SHUTTLEWORTH, I.G., 2018. Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75). Journal of Physics and Chemistry of Solids, 114, pp. 153-162. ISSN 0022-3697

SHUTTLEWORTH, I.G., 2017. The effects of strain on the ordered phases of Ni x Pt1 -x (x=0.25, 0.5, and 0.75). Chemical Physics Letters, 689, pp. 41-47. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2017. Development of the ReaxFF reactive force-field description of gold oxides. The Journal of Physical Chemistry C, 121 (45), pp. 25255-25270. ISSN 1932-7447

SHUTTLEWORTH, I.G., 2017. Strain engineering of H/transition metal systems. Surface Science, 661, pp. 49-59. ISSN 0039-6028

SHUTTLEWORTH, I.G., 2016. Non-linear modelling of the effects of strain on transition metal surfaces. Chemical Physics Letters, 666, pp. 51-57. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2016. Controlled FCC/on-top binding of H/Pt(111) using surface stress. Applied Surface Science, 378, pp. 286-292. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2016. Strain engineering of the CeNi5 system. Magnetochemistry, 2 (4), p. 39. ISSN 2312-7481

SHUTTLEWORTH, I.G., 2015. Bond length effects during the dissociation of O2 on Ni(111). Applied Surface Science, 346, pp. 329-334. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2015. Strategies for reducing basis set superposition error (BSSE) in O/AU and O/Ni. Journal of Physics and Chemistry of Solids, 86, pp. 19-26. ISSN 1879-2553

SHUTTLEWORTH, I.G., 2014. Elucidation of the indirect H–H interaction in (2 × 1)-H/Pd(3 1 1) and on Pd(1 1 1). Chemical Physics Letters, 592. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2014. Identification of the c(10×6)-CN/Cu(001) surface structure. Applied Surface Science, 321, pp. 358-363. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2014. The magnetic properties of Ce/Pd surface alloys investigated using DFT. Chemical Physics Letters, 605606, pp. 5-9. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2013. Band structure analysis of (1 × 2)-H/Pd(110)-pr. Surface Science, 615. ISSN 0039-6028

SHUTTLEWORTH, I.G., 2013. Investigation of the (1 x 2)-H/Pd(1 1 0)-pr system using DFT. Chemical Physics Letters, 568569, pp. 117-120. ISSN 0000-2614

SHUTTLEWORTH, I.G., 2013. Investigation of the H–Cu and Cu–Cu bonds in hydrogenated Cu. Journal of Physics and Chemistry of Solids, 74 (1), pp. 128-134. ISSN 0022-3697

SHUTTLEWORTH, I.G., 2012. Comparative investigation of the c(2 × 2)-Si/Cu(0 1 1) and (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloys using DFT. Applied Surface Science, 258 (8), pp. 3475-3484. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2012. Investigation of the bonding of SiHn and CHn (n = 1,…,3) on Cu(1 1 1) using DFT. Applied Surface Science, 258 (19). ISSN 0169-4332

SHUTTLEWORTH, I.G., 2012. The direct inversion of helium atom scattering (HAS) diffraction spectra. Surface Review and Letters, 19 (1). ISSN 0218-625X

SHUTTLEWORTH, I.G., 2011. Investigation of the (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloy using DFT. Applied Surface Science, 257 (15), pp. 6792-6798. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2011. The catalytic properties of sub-surface H layers on Cu(1 1 1). Chemical Physics Letters, 514 (13). ISSN 0009-2614

ERMAKOV, A.V., CIFTLIKLI, E.Z., SYSSOEV, S.E., SHUTTLEWORTH, I.G. and HINCH, B.J., 2010. A surface work function measurement technique utilizing constant deflected grazing electron trajectories: oxygen uptake on Cu(001). Review of Scientific Instruments, 81 (10). ISSN 0034-6748

SHUTTLEWORTH, I.G., 2009. Deduction of a three-phase model for the (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloy. Applied Surface Science, 256 (3), pp. 636-639. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2008. Development of a novel dual time-of-flight imaging mass spectrometer: principal, realization, and optimal performance. Surface Review and Letters, 15 (04), pp. 369-389. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2008. Improvements to the radius of convergence of direct inversion techniques in helium atom scattering. Surface Review and Letters, 15 (5), pp. 519-523. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2008. Investigations of the CN/Cu(1 1 1) system using density functional theory. Surface Science, 602 (21). ISSN 0039-6028

SHUTTLEWORTH, I.G., 2007. Analysis of the (3x3)-H/Cu(111) system using eikonal-level helium atom scattering simulations. Surface Review and Letters, 14 (6), pp. 1089-1093. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Benchmarking Patterson analysis in helium atom scattering. Surface Review and Letters, 14 (1), pp. 1-4. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Development of direct methods of data inversion in helium atom scattering. Surface Review and Letters, 14 (2), pp. 321-327. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Studies of the adsorption of acetonitrile (CH3CN) on Cu(001) using helium atom scattering. Surface Review and Letters, 14 (3), pp. 387-394. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Studies of the adsorption of cyanogen (C2N2) on Cu(001) using helium atom scattering. Surface Review and Letters, 14 (5), pp. 863-872. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. The saturated (3x3)-H/Cu(111) system: a structural study using medium-energy ion scattering and helium atom scattering. Surface Review and Letters, 14 (6), pp. 1191-1198. ISSN 0218-625X

LUO, M.F., MACLAREN, D.A., SHUTTLEWORTH, I.G. and ALLISON, W., 2003. Preferential sub-surface occupation of atomic hydrogen on Cu(111). Chemical Physics Letters, 381 (56), pp. 654-659. ISSN 0009-2614

SHUTTLEWORTH, I.G., FISHER, C.J., LEE, J.J., JONES, R.G. and WOODRUFF, D.P., 2002. A NIXSW structural investigation of the low temperature silyl phase formed by SiH4 reaction with Cu(111). Chemical Physics Letters, 351 (34), pp. 208-212. ISSN 0009-2614

JONES, R.G., CHAN, A.S.Y., ROPER, M.G., SKEGG, M.P., SHUTTLEWORTH, I.G., FISHER, C.J., JACKSON, G.J., LEE, J.J., WOODRUFF, D.P., SINGH, N.K. and COWIE, B.C.C., 2002. X-ray standing waves at surfaces. Journal of Physics: Condensed Matter, 14 (16), pp. 4059-4074. ISSN 0953-8984

SHUTTLEWORTH, I.G., FISHER, C.J., LEE, J.J., JONES, R.G. and WOODRUFF, D.P., 2001. A NIXSW structural investigation of the (√3×√3)R30°-Cu2Si surface alloy phase formed by SiH4 reaction with Cu(1 1 1). Surface Science, 491 (12). ISSN 0039-6028

JONES, R.G., SHUTTLEWORTH, I.G., FISHER, C.J., LEE, J.J., BASTOW, S.L., ITHNIN, R., LUDECKE, J., SKEGG, M.P., WOODRUFF, D.P. and COWIE, B.C.C., 2001. Surface structure determination using x-ray standing waves. Physics of Low-Dimensional Structures, 1112, pp. 1-26. ISSN 0204-3467

SHUTTLEWORTH, I.G. and ALLISON, W., 2001. The adsorption and desorption processes accompanying the chemical vapour deposition of silane on Cu(111) and Ni(111). Surface Review and Letters, 8 (6), pp. 613-620. ISSN 0218-625X