Discovery Projects - Grant ID: DP170103598 [ 2017-11-01 - 2021-06-30 ]

Related Publications

• Associated with 2D boron dichalcogenides from the substitution of Mo with ionic B2 pair in MoX2 (X = S, Se and Te): high stability, large excitonic effect and high charge carrier mobility
  url : eprints.qut.edu.au/127527/
  
• Associated with A Highly Efficient Conjoined-twin Porphyrin-based Complex for the Electrochemical Reduction of CO to Ethanol
  url : eprints.qut.edu.au/211005/
  
• Associated with A general two-step strategy-based high-throughput screening of single atom catalysts for nitrogen fixation
  url : eprints.qut.edu.au/127542/
  
• Associated with A single boron atom doped boron nitride edge as a metal-free catalyst for N2 fixation
  url : eprints.qut.edu.au/127529/
  
• Associated with Atomically Dispersed Heteronuclear Dual-Atom Catalysts: A New Rising Star in Atomic Catalysis
  url : eprints.qut.edu.au/227310/
  
Show all 48 related publications
• Associated with Atomically dispersed asymmetric Cu-B pair on 2D carbon nitride synergistically boosts the conversion of CO into C2 products
  url : eprints.qut.edu.au/136210/
  
• Associated with Cobalt porphyrin supported on graphene/Ni (111) surface: Enhanced oxygen evolution/reduction reaction and the role of electron coupling
  url : eprints.qut.edu.au/127534/
  
• Associated with Computation-aided design of single-atom catalysts for one-pot CO2 capture, activation, and conversion
  url : eprints.qut.edu.au/127536/
  
• Associated with Computational Design and Experimental Validation of the Optimal Bimetal-Doped SrCoO3-δ Perovskite as Solid Oxide Fuel Cell Cathode
  url : eprints.qut.edu.au/211359/
  
• Associated with Computational exploration of two-dimensional silicon diarsenide and germanium arsenide for photovoltaic applications
  url : eprints.qut.edu.au/223813/
  
• Associated with Computational screening of single-atom alloys TM@Ru(0001) for enhanced electrochemical nitrogen reduction reaction
  url : eprints.qut.edu.au/229740/
  
• Associated with Controllable Polarization and Doping in Ferroelectric In2Se3Monolayers and Heterobilayers via Intrinsic Defect Engineering
  url : eprints.qut.edu.au/226750/
  
• Associated with Defective graphene on the transition-metal surface: Formation of efficient bifunctional catalysts for oxygen evolution/reduction reactions in alkaline media
  url : eprints.qut.edu.au/128902/
  
• Associated with Density Functional Theory Study of Two-Dimensional Post-Transition Metal Chalcogenides and Halides for Interfacial Charge Transport in Perovskite Solar Cells
  url : eprints.qut.edu.au/235969/
  
• Associated with Density functional theory investigation of carbon dots as hole-transport material in perovskite solar cells
  url : eprints.qut.edu.au/127530/
  
• Associated with Endohedral metallofullerenes (M@C60) as efficient catalysts for highly active hydrogen evolution reaction
  url : eprints.qut.edu.au/113756/
  
• Associated with First principles study of trirutile magnesium bismuth oxide: Ideal bandgap for photovoltaics, strain-mediated band-inversion and semiconductor-to-semimetal transition
  url : eprints.qut.edu.au/223735/
  
• Associated with First-principles prediction of a room-temperature ferromagnetic Janus VSSe monolayer with piezoelectricity, ferroelasticity, and large valley polarization
  url : eprints.qut.edu.au/127521/
  
• Associated with First-principles prediction of polar half-metallicity and out-of-plane piezoelectricity in two-dimensional quintuple layered cobalt selenide
  url : eprints.qut.edu.au/213682/
  
• Associated with Free-radical gases on two-dimensional transition-metal disulfides (XS2, X = Mo/W): robust half-metallicity for efficient nitrogen oxide sensors
  url : eprints.qut.edu.au/127541/
  
• Associated with Graphynes as emerging 2D-platforms for electronic and energy applications: A computational perspective
  url : eprints.qut.edu.au/213033/
  
• Associated with Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity
  url : eprints.qut.edu.au/213684/
  
• Associated with Metal-free single atom catalyst for N2 fixation driven by visible light
  url : eprints.qut.edu.au/127537/
  
• Associated with Predicting a graphene-like WB4 nanosheet with double Dirac cone, the ultra-high Fermi velocity and significant gap opening by spin-orbit coupling
  url : eprints.qut.edu.au/103064/
  
• Associated with Predicting a new class of metal-organic frameworks as efficient catalyst for bi-functional oxygen evolution/reduction reactions
  url : eprints.qut.edu.au/127533/
  
• Associated with Predicting new two-dimensional Pd3(PS4)2 as an efficient photocatalyst for water splitting
  url : eprints.qut.edu.au/126751/
  
• Associated with Predicting novel 2D MB2 (M = Ti, Hf, V, Nb, Ta) monolayers with ultrafast Dirac transport channel and electron-orbital controlled negative Poisson's ratio
  url : eprints.qut.edu.au/128974/
  
• Associated with Predicting the strain-mediated topological phase transition in 3D cubic ThTaN3
  url : eprints.qut.edu.au/223869/
  
• Associated with Predicting ultrafast Dirac transport channel at the one-dimensional interface of the two-dimensional coplanar ZnO/MoS2 heterostructure
  url : eprints.qut.edu.au/127523/
  
• Associated with Prediction of room-temperature ferromagnetism and large perpendicular magnetic anisotropy in a planar hypercoordinate FeB3monolayer
  url : eprints.qut.edu.au/207582/
  
• Associated with Prediction of two-dimensional ferroelectric metal Mxenes
  url : eprints.qut.edu.au/213355/
  
• Associated with Purely one-dimensional ferroelectricity and antiferroelectricity from van der Waals niobium oxide trihalides
  url : eprints.qut.edu.au/212954/
  
• Associated with Rhombohedral lanthanum manganite: A new class of dirac half-metal with promising potential in spintronics
  url : eprints.qut.edu.au/134194/
  
• Associated with Silicene catalysts for CO2 hydrogenation: the number of layers controls selectivity
  url : eprints.qut.edu.au/128899/
  
• Associated with Silicon nanocages for selective carbon dioxide conversion under visible light
  url : eprints.qut.edu.au/128895/
  
• Associated with Single Pt atom decorated graphitic carbon nitride as an efficient photocatalyst for the hydrogenation of nitrobenzene into aniline
  url : eprints.qut.edu.au/132725/
  
• Associated with Single copper atoms supported on ZnS as an efficient catalyst for electrochemical reduction of CO to CH3OH
  url : eprints.qut.edu.au/205631/
  
• Associated with Single molybdenum atom anchored on N-doped carbon as a promising electrocatalyst for nitrogen reduction into ammonia at ambient conditions
  url : eprints.qut.edu.au/127540/
  
• Associated with Single transition metal atom-doped graphene supported on a nickel substrate: Enhanced oxygen reduction reactions modulated by electron coupling
  url : eprints.qut.edu.au/127520/
  
• Associated with Single tungsten atom supported on N-doped graphyne as a high-performance electrocatalyst for nitrogen fixation under ambient conditions
  url : eprints.qut.edu.au/127528/
  
• Associated with Theoretical discovery of Dirac half metal in experimentally synthesized two dimensional metal semiquinoid frameworks
  url : eprints.qut.edu.au/128898/
  
• Associated with Tuning CO binding strength via engineering the copper/borophene interface for highly efficient conversion of CO into ethanol
  url : eprints.qut.edu.au/211315/
  
• Associated with Two-dimensional CuTe2X (X = Cl, Br, and I): Potential photocatalysts for water splitting under the visible/infrared light
  url : eprints.qut.edu.au/134189/
  
• Associated with Two-dimensional MgAl2S4 as potential photocatalyst for water splitting and strategies to boost its performance
  url : eprints.qut.edu.au/235554/
  
• Associated with Two-dimensional janus antimony selenium telluride with large rashba spin splitting and high electron mobility
  url : eprints.qut.edu.au/227020/
  
• Associated with Understanding the activity and selectivity of single atom catalysts for hydrogen and oxygen evolution via ab initial study
  url : eprints.qut.edu.au/223791/
  
• Associated with Unlocking the potential of ruthenium catalysts for nitrogen fixation with subsurface oxygen
  url : eprints.qut.edu.au/209756/
  
• Associated with Versatile two-dimensional silicon diphosphide (SiP2) for photocatalytic water splitting
  url : eprints.qut.edu.au/223803/
  
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