Browsing by Author Soon, Aloysius

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Issue DateTitleAuthor(s)Citation
2009Ab initio lattice dynamics and thermal expansion of Cu2OSoon, Aloysius; Stampfl, Catherine; Bohnen, Klaus-Peter; Heid, Rolf; Pintschovius, Lother; Physics; PhysicsAb initio lattice dynamics and thermal expansion of Cu2O, Physical Review B (Condensed Matter and Materials Physics), vol.80, 13, 2009,pp 134304-1-134304-6
2010Adsorption of 2-chlorophenol on Cu2O(111)-Cu-CUS: A first-principles density functional studySoon, Aloysius; Stampfl, Catherine; Alterawneh, M; Dlugogorski, Bogdan Z.; Kennedy, Eric M.; Mackie, John; Radny, Marian W.; Smith, Phillip V.; Physics; PhysicsAdsorption of 2-chlorophenol on Cu2O(111)-Cu-CUS: A first-principles density functional study, Applied Surface Science, vol.256, 15,pp 4764-4770
2008Aluminium Absorption on Ir(I I I) at a quarter mono-layer coverage: A first principles studySoon, Aloysius; Stampfl, Catherine; Zhang, Hong; Delley, Bernard; Physics; Physics; PhysicsAluminium Absorption on Ir(I I I) at a quarter mono-layer coverage: A first principles study, Applied Surface Science, vol.254, N/A, 2008,pp 7655-7658
2008Bridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environmentPiccinin, Simone; Shi, Hongqing; Soon, Aloysius; Stampfl, Catherine; Zhang, Hong; Physics; Physics; Physics; Physics; PhysicsBridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environment, Journal of Physics: Condensed Matter, vol.20, 18, 2008,pp 184021-1-184021-19
2010Comparison of hydrogen and deuterium adsorption on Pd(100)Soon, Aloysius; Stampfl, Catherine; Gladys, M J; Kambali, I; Karolewski, MA; O'Connor, DJ; Physics; PhysicsComparison of hydrogen and deuterium adsorption on Pd(100), Journal of Chemical Physics, vol.132, 2, 2010,pp 024714-1-024714-8
2010Density functional study of oxygen on Cu(100) and Cu(110) surfacesDuan, Xiangmei; Soon, Aloysius; Stampfl, Catherine; Warschkow, Oliver; Delley, Bernard; Physics; Physics; Physics; PhysicsDensity functional study of oxygen on Cu(100) and Cu(110) surfaces, Physical Review B (Condensed Matter and Materials Physics), vol.81, 7, 2010,pp 075430-1-075430-15
2013Early transition metal dopants in cuprous oxide: To spin or not to spinStampfl, Catherine; Wallman, Joel; Delley, Bernard; Soon, Aloysius; Physics; PhysicsEarly transition metal dopants in cuprous oxide: To spin or not to spin, Current Applied Physics, vol.13, 8, 2013,pp 1707-1712
2014Electronic structure and band alignment of zinc nitride, Zn 3N2Soon, Aloysius; Scanlon, David O.; Walsh, Aron; Yoo, Su-Hyun; PhysicsElectronic structure and band alignment of zinc nitride, Zn 3N2, RSC Advances, vol.4, 7, 2014,pp 3306-3311-3306-3311
2012Environment-dependent nanomorphology of TiN: the influence of surface vacanciesStampfl, Catherine; Delley, Bernard; Lee, Taehun; Soon, Aloysius; PhysicsEnvironment-dependent nanomorphology of TiN: the influence of surface vacancies, Nanoscale, vol.4, 16, 2012,pp 5183-5188
2016Exploring stereographic surface energy maps of cubic metals via an effective pair-potential approachSoon, Aloysius; Jung, Young-Kwan; Lee, Ji-Hwan; Yoo, Su-Hyun; PhysicsExploring stereographic surface energy maps of cubic metals via an effective pair-potential approach, Physical Review B, vol.93, 3, 2016,pp 1-8
2012First principles study of 3d transition metal doped Cu3NCui, Xiangyuan (Carl); Liu, Zongwen; Phillips, Andrew; Ringer, Simon; Soon, Aloysius; Stampfl, Catherine; Zheng, Rongkun; Delley, Bernard; Aerospace Mech & M'tronic Eng; Chemical & Biomolecular Engineering; Physics; Aerospace Mech & M'tronic Eng; Physics; Physics; PhysicsFirst principles study of 3d transition metal doped Cu3N, Journal of Magnetism and Magnetic Materials, vol.324, 19, 2012,pp 3138-3143
2009A first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuOSoon, Aloysius; Stampfl, Catherine; Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z.; Kennedy, Eric M.; Mackie, John; Radny, Marian W.; Smith, Phillip V.; Physics; PhysicsA first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuO, Journal of Chemical Physics, vol.130, 18, 2009,pp 184505-1-184505-7
2012A first-principles study of ultrathin nanofilms of MgO-supported TiNStampfl, Catherine; Delley, Bernard; Kim, C; Soon, Aloysius; Zhang, R; PhysicsA first-principles study of ultrathin nanofilms of MgO-supported TiN, Physical Chemistry Chemical Physics, vol.14, 7, 2012,pp 2462-2467
2013Mitigation of CO poisoning on functionalized Pt-TiN surfacesSoon, Aloysius; Stampfl, Catherine; Kim, C; Yu, ByungDeok; Zhang, R; Physics; PhysicsMitigation of CO poisoning on functionalized Pt-TiN surfaces, Physical Chemistry Chemical Physics, vol.15, 44, 2013,pp 19450-19456
2008Morphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigationSoon, Aloysius; Stampfl, Catherine; Wong, Lindee; Delley, Bernard; Physics; Physics; PhysicsMorphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigation, Physical Review B (Condensed Matter and Materials Physics), vol.77,(12),2008,pp 125423-1-125423-13
2009Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-OCui, Xiangyuan (Carl); Soon, Aloysius; Stampfl, Catherine; Delley, Bernard; Wei, Su-Huai; Aerospace Mech & M'tronic Eng; Physics; PhysicsNative defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-O, Physical Review B (Condensed Matter and Materials Physics), vol.79, 3, 2009,pp 035205-1-035205-15
2007Nitrogen adsorption and thin surface nitrides on Cu(1 1 1) from first-principlesLee, Michael; Soon, Aloysius; Stampfl, Catherine; Todorova, Mira; Wong, Lindee; Delley, Bernard; Physics; Physics; Physics; Physics; PhysicsNitrogen adsorption and thin surface nitrides on Cu(1 1 1) from first-principles, Surface Science, vol.601,(N/A),2007,pp 4775-4785
2006Oxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigationSoon, Aloysius; Stampfl, Catherine; Todorova, Mira; Delley, Bernard; Physics; Physics; PhysicsOxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigation, Physical Review B (Condensed Matter and Materials Physics), vol.73,(16),2006,pp 165424-1-165424-12
2012Playing with dimensions: Rational design for heteroepitaxial p-n junctionsStampfl, Catherine; Baik, Hong Koo; Jang, Woo Soon; Kim, YoungDong; Lee, SangHoon; Lee, Taell; Myoung, JaeMin; Oh, JinYoung; Soon, Aloysius; PhysicsPlaying with dimensions: Rational design for heteroepitaxial p-n junctions, Nano Letters: a journal dedicated to nanoscience and nanotechnology, vol.12, 1, 2012,pp 68-76
2014Re-visiting the O/Cu(111) system-when metastable surface oxides could become an issue!Stampfl, Catherine; Kim, C; Richter, N. A.; Soon, Aloysius; PhysicsRe-visiting the O/Cu(111) system-when metastable surface oxides could become an issue!, Physical Chemistry Chemical Physics, vol.16, 48, 2014,pp 26735-26740