List of works - Dane Morgan

Ab Initio Modeling of Electrolyte Molecule Ethylene Carbonate Decomposition Reaction on Li(Ni,Mn,Co)O2 Cathode Surface.

scientific article

Ab initio and empirical defect modeling of LaMnO3±δfor solid oxidefuel cell cathodes ⬇️

scientific article published on November 14, 2011

Ag diffusion in SiC high-energy grain boundaries: Kinetic Monte Carlo study with first-principle calculations

Assessing Graph-based Deep Learning Models for Predicting Flash Point

scientific article published on 20 February 2020

Atomic Layer Deposited MgO: A Lower Overpotential Coating for Li[Ni0.5Mn0.3Co0.2]O2 Cathode.

scientific article

Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation

article

Corrigendum to “Origin of Fe 3+ in Fe-containing, Al-free mantle silicate perovskite” [Earth Planet. Sci. Lett. 409 (2014) 319–328]

scholarly article

Data and Supplemental information for predicting the thermodynamic stability of perovskite oxides using machine learning models.

scientific article published on 8 May 2018

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1-yBiy

scientific article published on 20 February 2020

Electronic and magnetic structures of the postperovskite-type Fe2O3 and implications for planetary magnetic records and deep interiors

scientific article

Epitaxial Strain-Induced Chemical Ordering in La 0.5 Sr 0.5 CoO 3−δ Films on SrTiO 3

Extracting accurate materials data from research papers with conversational language models and prompt engineering

scientific article published on 21 February 2024

Factors Controlling Oxygen Interstitial Diffusion in the Ruddlesden–Popper Oxide La2–xSrxNiO4+δ

Factors controlling surface oxygen exchange in oxides

scientific article published on 22 March 2019

Flux effects in precipitation under irradiation – Simulation of Fe-Cr alloys

High-throughput ab-initio dilute solute diffusion database.

scientific article published on 19 July 2016

High-throughput computational design of cathode coatings for Li-ion batteries

scientific article published on 14 December 2016

In Situ Anomalous Small-Angle X-ray Scattering Studies of Platinum Nanoparticle Fuel Cell Electrocatalyst Degradation ⬇️

scientific article published on 04 September 2012

Iron valence and partitioning between post-perovskite and ferropericlase in the Earth’s lowermost mantle

scholarly article by Martha A. Gialampouki et al published September 2018 in Physics of the Earth and Planetary Interiors

Massive Vacancy Concentration Yields Strong Room-Temperature Ferromagnetism in Two-Dimensional ZnO

scientific article published on 23 September 2019

Nanometre-thick single-crystalline nanosheets grown at the water-air interface

scientific article published on 20 January 2016

New frontiers for the materials genome initiative

scientific article published on 5 April 2019

On the Elevated Temperature Thermal Stability of Nanoscale Mn-Ni-Si Precipitates Formed at Lower Temperature in Highly Irradiated Reactor Pressure Vessel Steels

scientific article published on 03 July 2019

Origin of Fe 3+ in Fe-containing, Al-free mantle silicate perovskite

scholarly article by Shenzhen Xu et al published January 2015 in Earth and Planetary Science Letters

Predicting the thermodynamic stability of perovskite oxides using machine learning models

scholarly article by Wei Li et al published July 2018 in Computational Materials Science

Radiation-induced segregation in a ceramic

scientific article published on 25 May 2020

Stability of ferrous-iron-rich bridgmanite under reducing midmantle conditions

scientific article published on 5 June 2017

Strain control of oxygen kinetics in the Ruddlesden-Popper oxide La1.85Sr0.15CuO4.

scientific article published on 8 January 2018

The Materials Simulation Toolkit for Machine learning (MAST-ML): An automated open source toolkit to accelerate data-driven materials research

scientific article published in 2020

The O-O Bonding and Hydrogen Storage in the Pyrite-type PtO2

scientific article published on 13 June 2019

List of works by Dane Morgan

Ab Initio Modeling of Electrolyte Molecule Ethylene Carbonate Decomposition Reaction on Li(Ni,Mn,Co)O2 Cathode Surface.

Ab initio and empirical defect modeling of LaMnO3±δfor solid oxidefuel cell cathodes ⬇️

Ag diffusion in SiC high-energy grain boundaries: Kinetic Monte Carlo study with first-principle calculations

Assessing Graph-based Deep Learning Models for Predicting Flash Point

Atomic Layer Deposited MgO: A Lower Overpotential Coating for Li[Ni0.5Mn0.3Co0.2]O2 Cathode.

Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation

Corrigendum to “Origin of Fe 3+ in Fe-containing, Al-free mantle silicate perovskite” [Earth Planet. Sci. Lett. 409 (2014) 319–328]

Data and Supplemental information for predicting the thermodynamic stability of perovskite oxides using machine learning models.

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1-yBiy

Electronic and magnetic structures of the postperovskite-type Fe2O3 and implications for planetary magnetic records and deep interiors

Epitaxial Strain-Induced Chemical Ordering in La 0.5 Sr 0.5 CoO 3−δ Films on SrTiO 3

Extracting accurate materials data from research papers with conversational language models and prompt engineering

Factors Controlling Oxygen Interstitial Diffusion in the Ruddlesden–Popper Oxide La2–xSrxNiO4+δ

Factors controlling surface oxygen exchange in oxides

Flux effects in precipitation under irradiation – Simulation of Fe-Cr alloys

High-throughput ab-initio dilute solute diffusion database.

High-throughput computational design of cathode coatings for Li-ion batteries

In Situ Anomalous Small-Angle X-ray Scattering Studies of Platinum Nanoparticle Fuel Cell Electrocatalyst Degradation ⬇️

Iron valence and partitioning between post-perovskite and ferropericlase in the Earth’s lowermost mantle

Massive Vacancy Concentration Yields Strong Room-Temperature Ferromagnetism in Two-Dimensional ZnO

Nanometre-thick single-crystalline nanosheets grown at the water-air interface

New frontiers for the materials genome initiative

On the Elevated Temperature Thermal Stability of Nanoscale Mn-Ni-Si Precipitates Formed at Lower Temperature in Highly Irradiated Reactor Pressure Vessel Steels

Origin of Fe 3+ in Fe-containing, Al-free mantle silicate perovskite

Predicting the thermodynamic stability of perovskite oxides using machine learning models

Radiation-induced segregation in a ceramic

Stability of ferrous-iron-rich bridgmanite under reducing midmantle conditions

Strain control of oxygen kinetics in the Ruddlesden-Popper oxide La1.85Sr0.15CuO4.

The Materials Simulation Toolkit for Machine learning (MAST-ML): An automated open source toolkit to accelerate data-driven materials research

The O-O Bonding and Hydrogen Storage in the Pyrite-type PtO2

Transition state redox during dynamical processes in semiconductors and insulators