Browsing by Author Stampfl, Catherine

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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
2017Acceptor doping in the proton conductor SrZrO3Cui, Xiangyuan (Carl); Stampfl, Catherine; Janotti, Anderson; Van de Walle, C G; Weston, L; Aerospace, Mechanical and Mechatronic Engineering; PhysicsAcceptor doping in the proton conductor SrZrO3, Physical Chemistry Chemical Physics, vol.19, 18, 2017,pp 11485-11491
2014Adsorbate induced vacancy formation on silver surfacesJones, Travis Elliott-Loyd; Stampfl, Catherine; Knop-Gericke, Axel; Piccinin, S.; Rocha, T.C.R.; Schlogl, Robert; Physics; PhysicsAdsorbate induced vacancy formation on silver surfaces, Physical Chemistry Chemical Physics, vol.16, 19, 2014,pp 9002-9014
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
2009Ag–Cu alloy surfaces in an oxidizing environment: A first-principles studyPiccinin, Simone; Stampfl, Catherine; Scheffler, Matthias; Physics; PhysicsAg–Cu alloy surfaces in an oxidizing environment: A first-principles study, Surface Science, vol.603,(10-12),2009,pp 1467-1475
2010Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene EpoxidationPiccinin, Simone; Stampfl, Catherine; Bukhtiyarov, Valerii; Girgsdies, Frank; Hansen, Thomas; Havecker, Michael; Knop-Gericke, Axel; Scheffler, Matthias; Schlogl, Robert; Teschner, Detre; Zafeiratos, Spiros; Physics; PhysicsAlloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation, Physical Review Letters, vol.104, 3, 2010,pp 035503-1-035503-4
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
2009Atomic and electronic structure of single and multiple vacancies in GaN nanowires from first-principlesCarter, Damien; Stampfl, Catherine; Physics; PhysicsAtomic and electronic structure of single and multiple vacancies in GaN nanowires from first-principles, Physical Review B (Condensed Matter and Materials Physics), vol.79, 19, 2009,pp 195302-1-195302-14
2010Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principlesCui, Xiang Yuan; Stampfl, Catherine; Delley, Bernard; Australian Centre for Microscopy and Microanalysis (ACMM); PhysicsBand gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles, Journal of Applied Physics, vol.108, 10, 2010,pp 103701-1-103701-10
2012Band offsets and polarization effects in wurtzite ZnO/Mg 0.25 Zn 0.75 O superlattices from first principlesCui, Xiangyuan (Carl); Stampfl, Catherine; Weston, L.; Delley, Bernard; Aerospace Mech & M'tronic Eng; Physics; PhysicsBand offsets and polarization effects in wurtzite ZnO/Mg 0.25 Zn 0.75 O superlattices from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.86, 20, 2012,pp 1-9
2017Band offsets in La2O3/InN heterostructuresStampfl, Catherine; Wang, Jianli; Bai, Dongmei; Liu, Hao; Tang, Gang; Wu, Shuyin; Physics; PhysicsBand offsets in La2O3/InN heterostructures, Solid State Communications, vol.265, N/A, 2017,pp 19-22
2017Benzylation of Arenes with Benzyl Chloride over H-Beta Zeolite: Effects from Acidity and Shape-SelectivityHuang, Jun; Li, Haitao; Stampfl, Catherine; Wang, Zichun; Zhang, Yunyao; Zhou, Zheng; Liang, Changhai; Wang, Lei; Chemical & Biomolecular Engineering; Chemical & Biomolecular Engineering; Physics; Chemical & Biomolecular Engineering; Chemical & Biomolecular Engineering; Chemical & Biomolecular EngineeringBenzylation of Arenes with Benzyl Chloride over H-Beta Zeolite: Effects from Acidity and Shape-Selectivity, The Journal of Physical Chemistry C, vol.121, 28, 2017,pp 15248-15255
2015Bistable Magnetism and Potential for Voltage-Induced Spin Crossover in Dilute Magnetic FerroelectricsCui, Xiangyuan (Carl); Ringer, Simon; Stampfl, Catherine; Weston, Leigh; Aerospace Mech & M'tronic Eng; Aerospace Mech & M'tronic Eng; Physics; PhysicsBistable Magnetism and Potential for Voltage-Induced Spin Crossover in Dilute Magnetic Ferroelectrics, Physical Review Letters, vol.114, 24, 2015,pp 1-4
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
2016Bronsted acid sites based on penta-coordinated aluminum speciesHuang, Jun; Kim, Kyungduk; Stampfl, Catherine; Wang, Zichun; Amoureux, Jean-Paul; Baiker, Alfons; Jiang, Yijiao; Lafon, Olivier; Trebosc, Julien; Chemical & Biomolecular Engineering; Chemical & Biomolecular Engineering; Physics; Chemical & Biomolecular EngineeringBronsted acid sites based on penta-coordinated aluminum species, Nature Communications, vol.7, N/A, 2016,pp 1-5
2008Built-in electric field assisted spin injection in Cr and Mn delta-layer doped AlN/GaN(0001) heterostructures from first principlesCui, Xiangyuan (Carl); Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Medvedeva, J E; Aerospace Mech & M'tronic Eng; PhysicsBuilt-in electric field assisted spin injection in Cr and Mn delta-layer doped AlN/GaN(0001) heterostructures from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.78, N/A, 2008,pp 245317-1-245317-15
2011Built-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigationsCui, Xiang Yuan; Shieh, C.; Stampfl, Catherine; Delley, Bernard; Australian Centre for Microscopy and Microanalysis (ACMM); Physics; PhysicsBuilt-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigations, Journal of Applied Physics, vol.109, 8, 2011,pp 083721-1-083721-8
2014CHx adsorption (x = 1-4) and thermodynamic stability on the CeO2(111) surface: A first-principles investigationStampfl, Catherine; Delley, Bernard; Fronzi, M; Piccinin, S.; Traversa, Enrico; PhysicsCHx adsorption (x = 1-4) and thermodynamic stability on the CeO2(111) surface: A first-principles investigation, RSC Advances, vol.4, 24, 2014,pp 12245-12251
2009Codoping of aluminum and gallium with nitrogen in ZnO: A comparative first-principles investigationBilek, Marcela; Duan, Xiangmei; McKenzie, David; Stampfl, Catherine; Physics; Physics; Physics; PhysicsCodoping of aluminum and gallium with nitrogen in ZnO: A comparative first-principles investigation, Physical Review B (Condensed Matter and Materials Physics), vol.79, 23,pp 235208-1-235208-9
2016Communication: Electrical rectification of C59N: The role of anchoring and doping sitesCui, Xiangyuan (Carl); Ringer, Simon; Stampfl, Catherine; Tawfik, Sherif Abdelkader; Aerospace Mech & Mtronic Eng; Aerospace Mech & Mtronic Eng; Physics; PhysicsCommunication: Electrical rectification of C59N: The role of anchoring and doping sites, Journal of Chemical Physics, vol.144, 2, 2016,pp 1-5