Blar i NTNU Open på forfatter "Scanlon, David O."
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High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications
Broberg, Danny; Bystrom, Kyle; Srivastava, Shivani; Dahliah, Diana; Williamson, Benjamin Albert Dobson; Weston, Leigh; Scanlon, David O.; Rignanese, Gian-Marco; Dwaraknath, Shyam; Varley, Joel; Persson, Kristin A.; Asta, Mark; Hautier, Geoffroy (Peer reviewed; Journal article, 2023)Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging ... -
Multi-Phase Sputtered TiO<inf>2</inf>-Induced Current–Voltage Distortion in Sb<inf>2</inf>Se<inf>3</inf> Solar Cells
Don, Christopher; Shalvey, Thomas; Smiles, Matthew; Thomas, Luke; Phillips, Laurie; Hobson, Theodore; Finch, Harry; Jones, Leanne; Swallow, Jack; Fleck, Nicole; Markwell, Christopher; Thakur, Pardeep; Lee, Tien-Lin; Biswas, Deepnarayan; Bowen, Leon; Williamson, Benjamin Albert Dobson; Scanlon, David O.; Dhanak, Vinod; Durose, Vinod; Veal, Tim D; Major, Jonathan (Peer reviewed; Journal article, 2023)Despite the recent success of CdS/Sb2Se3 heterojunction devices, cadmium toxicity, parasitic absorption from the relatively narrow CdS band gap (2.4 eV) and multiple reports of inter-diffusion at the interface forming ...