Catherine Stampfl

University of Sydney — Australia

Materials Science · Physical Sciences

65h-index16.2kcitations405works6.92yr avg
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Research Topics

Catalytic Processes in Materials Science(78), Advanced Chemical Physics Studies(62), Graphene research and applications(56), 2D Materials and Applications(50), GaN-based semiconductor devices and materials(46)

Publications405 total

Author response for "Insight into the electronic, optical, and thermoelectric properties of novel ternary chalcohalides: For next-generation energy applications"
2025
Author response for "Thermocatalytic CO2 Dissociation over Ni-Based Single Atom Alloys: A First-Principles Investigation"
2025
Kolmogorov-Arnold Networks in Thermoelectric Materials Design
arXiv (Cornell University)·2025Open Access
Structural and electronic properties of twisted hBN flakes on graphene
Physical Review Materials·2025· 1 cited
Influence of Different Configurations of Pt Supported on Al<sup>V</sup>-Rich ASA on Their Catalytic Performance in Chemoselective Hydrogenation Evaluated by DFT Modeling and Experimental Validation
ACS Catalysis·2025
Investigation of the Effects of Strain and Electric Field on the Spin‐State Energetics of Co‐Doped BaTiO <sub>3</sub> and PbTiO <sub>3</sub>
Advanced Functional Materials·2025Open Access
Quantum-assisted machine learning screening for sustainable anode discovery in lithium-ion batteries
Journal of Power Sources·2025· 2 citedOpen Access
Ferroelectricity in layered GaSe: Intralayer and interlayer sliding
Physical Review Materials·2025· 1 cited
Multiple B-site doping suppresses ion migration in halide perovskites
Science Advances·2025· 34 citedOpen Access
Minimizing Catalyst Loading for Efficient Electrolysis of Carbon Capture Solution to CO
ACS Applied Materials & Interfaces·2025· 4 cited
Enhancing CO<sub>2</sub> hydrogenation <i>via</i> nitrogen-doped carbon nanospheres and <i>in situ</i> ruthenium nanoparticle synthesis
Catalysis Science & Technology·2025· 2 cited
Tribology-driven modulation of piezoelectricity in 2D CdS bilayers: a first-principles investigation
RSC Advances·2025Open Access
Thermocatalytic CO <sub>2</sub> dissociation over Ni-based single atom alloys: a first-principles investigation
Journal of Materials Chemistry A·2025
Advances in van der Waals thermoelectric materials: prospects and challenges
RSC Applied Interfaces·2025· 6 citedOpen Access
Insight into the electronic, optical, and thermoelectric properties of novel ternary chalcohalides: next-generation energy applications
RSC Advances·2025Open Access
Diamond surface nano-structures in an oxidizing atmosphere: A first principles study
Surface Science·2024· 2 citedOpen Access
<scp>CoTCNQ</scp> as a Catalyst for <scp>CO</scp><sub>2</sub> Electroreduction: A First Principles r<sup>2</sup><scp>SCAN</scp> Meta‐<scp>GGA</scp> Investigation
Journal of Computational Chemistry·2024· 2 cited
Efficient Algorithm for Extracting Transmission Spectrum From Band Structure in Low‐Dimensional Systems (Adv. Theory Simul. 12/2024)
Advanced Theory and Simulations·2024Open Access
Divacancy graphene and graphyne as potential biomedical sensors: A first-principles study
Surface and Coatings Technology·2024· 3 cited
Electronic and magnetic properties of cobalt clusters on pristine and divacancy graphene
Journal of Magnetism and Magnetic Materials·2024· 2 citedOpen Access
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Frequent Co-authors

Matthias Scheffler(14), B. Delley(11), Aloysius Soon(6), Chris G. Van de Walle(5), Wei‐Xue Li(5), Michael Scheffler(5), M. V. Ganduglia-Pirovano(5), Karsten Reuter(5), Juarez L. F. Da Silva(4), Xiangyuan Cui(4), A. J. Freeman(4), Marco Fronzi(3), Simone Piccinin(3), A. Bafekry(3), Ryoji Asahi(2), G. Ertl(2), Mira Todorova(2), Enrico Traversa(2), Michael J. Ford(2), Herbert Over(2)