Search Results - "Jackson, Adam J"

Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide by Brivio, Federico, Frost, Jarvist M., Skelton, Jonathan M., Jackson, Adam J., Weber, Oliver J., Weller, Mark T., Goñi, Alejandro R., Leguy, Aurélien M. A., Barnes, Piers R. F., Walsh, Aron

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Limits to Doping of Wide Band Gap Semiconductors by Walsh, Aron, Buckeridge, John, Catlow, C. Richard A, Jackson, Adam J, Keal, Thomas W, Miskufova, Martina, Sherwood, Paul, Shevlin, Stephen A, Watkins, Mathew B, Woodley, Scott M, Sokol, Alexey A

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A universal chemical potential for sulfur vapours by Jackson, Adam J, Tiana, Davide, Walsh, Aron

“…The unusual chemistry of sulfur is illustrated by the tendency for catenation. Sulfur forms a range of open and closed S species in the gas phase, which has…”
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Oxidation of GaN: An ab initio thermodynamic approach by Jackson, Adam J., Walsh, Aron

“…GaN is a wide-band-gap semiconductor used in high-efficiency light-emitting diodes and solar cells. The solid is produced industrially at high chemical…”
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Automated Bonding Analysis with Crystal Orbital Hamilton Populations by George, Janine, Petretto, Guido, Naik, Aakash, Esters, Marco, Jackson, Adam J., Nelson, Ryky, Dronskowski, Richard, Rignanese, Gian‐Marco, Hautier, Geoffroy

“…Understanding crystalline structures based on their chemical bonding is growing in importance. In this context, chemical bonding can be studied with the…”
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Correction: A universal chemical potential for sulfur vapours by Jackson, Adam J, Tiana, Davide, Walsh, Aron

“…Correction for 'A universal chemical potential for sulfur vapours' by Adam J. Jackson et al. , Chem. Sci. , 2016, 7 , 1082-1092…”
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Vibrational spectra and lattice thermal conductivity of kesterite-structured Cu2ZnSnS4 and Cu2ZnSnSe4 by Skelton, Jonathan M., Jackson, Adam J., Dimitrievska, Mirjana, Wallace, Suzanne K., Walsh, Aron

“…Cu2ZnSnS4 (CZTS) is a promising material for photovoltaic and thermoelectric applications. Issues with quaternary semiconductors include chemical disorder…”
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Automated Bonding Analysis with Crystal Orbital Hamilton Populations by George, Janine, Petretto, Guido, Naik, Aakash, Esters, Marco, Jackson, Adam J., Nelson, Ryky, Dronskowski, Richard, Rignanese, Gian‐Marco, Hautier, Geoffroy

“…Invited for this month′s cover are researchers from Bundesanstalt für Materialforschung und ‐prüfung (Federal Institute for Materials Research and Testing) in…”
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Computational Prediction and Experimental Realization of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb2O6 by Jackson, Adam J., Parrett, Benjamin J., Willis, Joe, Ganose, Alex M., Leung, W. W. Winnie, Liu, Yuhan, Williamson, Benjamin A. D., Kim, Timur K., Hoesch, Moritz, Veiga, Larissa S. I., Kalra, Raman, Neu, Jens, Schmuttenmaer, Charles A., Lee, Tien-Lin, Regoutz, Anna, Lee, Tung-Chun, Veal, Tim D., Palgrave, Robert G., Perry, Robin, Scanlon, David O.

“…Transparent conducting oxides have become ubiquitous in modern optoelectronics. However, the number of oxides that are transparent to visible light and have…”
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sumo: Command-line tools for plotting and analysis of periodic ab initio calculations by M Ganose, Alex, J Jackson, Adam, O Scanlon, David

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Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors by Shibuya, Taizo, Skelton, Jonathan M., Jackson, Adam J., Yasuoka, Kenji, Togo, Atsushi, Tanaka, Isao, Walsh, Aron

“…In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions…”
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Dielectric response of Fe2O3 crystals and thin films by Lunt, Ruth A., Jackson, Adam J., Walsh, Aron

“…We report the static (ε0) and high frequency (ε∞) dielectric constants of haematite (α-Fe2O3) as calculated using density functional perturbation theory. The…”
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A universal chemical potential for sulfur vapoursElectronic supplementary information (ESI) available: Tabulated free energy and enthalpy data. Additional data and code available in external repositories with DOI: 10.5281/zenodo.28536; DOI: 10.6084/m9.figshare.151373; DOI: 10.6084/m9.figshare.1513833. See data access statement for more information. See DOI: 10.1039/c5sc03088a by Jackson, Adam J, Tiana, Davide, Walsh, Aron

“…The unusual chemistry of sulfur is illustrated by the tendency for catenation. Sulfur forms a range of open and closed S n species in the gas phase, which has…”
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A universal chemical potential for sulfur vapours† †Electronic supplementary information (ESI) available: Tabulated free energy and enthalpy data. Additional data and code available in external repositories with DOI: 10.5281/zenodo.28536; DOI: 10.6084/m9.figshare.151373; DOI: 10.6084/m9.figshare.1513833. See data access statement for more information. See DOI: 10.1039/c5sc03088a by Jackson, Adam J., Tiana, Davide, Walsh, Aron

“…The equilibrium thermochemistry of mixed vapour-phase sulfur allotropes is computed and solved to obtain a single chemical potential function. The unusual…”
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Front Cover: Automated Bonding Analysis with Crystal Orbital Hamilton Populations (ChemPlusChem 11/2022) by George, Janine, Petretto, Guido, Naik, Aakash, Esters, Marco, Jackson, Adam J., Nelson, Ryky, Dronskowski, Richard, Rignanese, Gian‐Marco, Hautier, Geoffroy

“…The cover picture shows a workflow for automatic bonding analysis with Python tools (green python). The bonding analysis itself is performed with the program…”
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An experimental and computational study of tip clearance effects on a transonic turbine stage by Jackson, Adam J., Wheeler, Andrew P.S., Ainsworth, Roger W.

“…•Engine-scale turbine experiments reveal new mechanism driving tip heat transfer.•Casing shear work was a major influence on tip heat transfer at small…”
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LobsterPy: A package to automatically analyze LOBSTER runs by Naik, Aakash Ashok, Ueltzen, Katharina, Ertural, Christina, Jackson, Adam J., George, Janine

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A fast approximate method for variable-width broadening of spectra by Farmer, Jessica, Jackson, Adam J

“…Spectral data is routinely broadened in order to improve appearance, approximate a higher sampling level or model experimental measurement effects. While there…”
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Computational Prediction and Experimental Realization of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb 2 O 6 by Jackson, Adam J., Parrett, Benjamin J., Willis, Joe, Ganose, Alex M., Leung, W. W. Winnie, Liu, Yuhan, Williamson, Benjamin A. D., Kim, Timur K., Hoesch, Moritz, Veiga, Larissa S. I., Kalra, Raman, Neu, Jens, Schmuttenmaer, Charles A., Lee, Tien-Lin, Regoutz, Anna, Lee, Tung-Chun, Veal, Tim D., Palgrave, Robert G., Perry, Robin, Scanlon, David O.

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Galore: Broadening and weighting for simulation of photoelectron spectroscopy by J Jackson, Adam, M Ganose, Alex, Regoutz, Anna, G. Egdell, Russell, O Scanlon, David

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