ShengBTE: A solver of the Boltzmann transport equation for phonons

Wu Li, Jesús Carrete, Nebil A. Katcho, +1

Computer Physics Communications

EngineeringPhysicsMany-body ProblemNatural SciencesCondensed Matter Physics +5

Thermal conductivity of diamond nanowires from first principles

Wu Li, Natalio Mingo, Lucas Lindsay, +3

Physical Review B

Materials ScienceDiamond-like CarbonEngineeringPhysicsNanomaterials +9

Dual Substitution Strategy to Enhance Li⁺ Ionic Conductivity in Li₇La₃Zr₂O₁₂ Solid Electrolyte

Lucienne Buannic, B. Orayech, Juan Miguel López del Amo, +7

Chemistry of Materials

Nmr RevealsEngineeringElectrode-electrolyte InterfaceChemistryMaterials Science +15

Origins of Bistability and Na Ion Mobility Difference in P2‐ and O3‐Na_2/3Fe_2/3Mn_1/3O₂ Cathode Polymorphs

Nebil A. Katcho, Javier Carrasco, Damien Saurel, +4

Advanced Energy Materials

Effect of nitrogen and vacancy defects on the thermal conductivity of diamond: An<i>ab initio</i>Green's function approach

Nebil A. Katcho, Jesús Carrete, Wu Li, +1

Physical Review B

Point DefectsEngineeringThermal ConductivityQuantum MaterialsThermodynamics +15

Role of Surface-Segregation-Driven Intermixing on the Thermal Transport through Planar<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Si</mml:mi><mml:mo>/</mml:mo><mml:mi>Ge</mml:mi></mml:math>Superlattices

Peixuan Chen, Nebil A. Katcho, Joseph P. Feser, +6

Physical Review Letters

Crystallographic Control at the Nanoscale To Enhance Functionality: Polytypic Cu₂GeSe₃ Nanoparticles as Thermoelectric Materials

María Ibáñez, Reza R. Zamani, Wenhua Li, +8

Chemistry of Materials

EngineeringCrystallographic ControlThermoelectricsNew ApplicationsChemistry +14

<i>Ab initio</i>study of the effect of vacancies on the thermal conductivity of boron arsenide

Nakib H. Protik, Jesús Carrete, Nebil A. Katcho, +2

Physical review. B./Physical review. B

Materials ScienceBoron NitrideBoron ArsenidePoint DefectsPhysics +13

Unraveling the role of Ti in the stability of positive layered oxide electrodes for rechargeable Na-ion batteries

Maider Zarrabeitia, Elena Gonzalo, Marta Pasqualini, +11

Journal of Materials Chemistry A

EngineeringJahn Teller DistortionChemical EngineeringQuantum MaterialsSodium Battery +14

An investigation of the structural properties of Li and Na fast ion conductors using high-throughput bond-valence calculations and machine learning

Nebil A. Katcho, Jesús Carrete, Marine Reynaud, +5

Journal of Applied Crystallography

EngineeringMachine LearningComputational ChemistryChemistryGraph Percolation +16