Openings

  • None at the moment.

Highlights

Research

Preprints

  • “Highly Anisotropic Thermal Transport in LiCoO2ChemRxiv (2019) #batteries #phonons

  • “Intrinsic doping limit and defect-assisted luminescence in Cs4PbBr6ChemRxiv (2019) #solar #perovskites #defects

  • “Electronic and Phonon Instabilities in Bilayer Graphene under Applied External Bias” arXiv (2018) #phonons #2d

July 2019

June 2019

May 2019

April 2019

March 2019

  • “Impact of nonparabolic electronic band structure on the optical and transport properties of photovoltaic materials” Physical Review B (2019) #solar #perovskites

  • “Living in the salt-cocrystal continuum: Indecisive organic complexes with thermochromic behaviour” CrystEngComm (2019) #metastable

  • “Finding a junction partner for candidate solar cell absorbers enargite and bournonite from electronic band and lattice matching” Journal of Applied Physics (2019) #solar

  • “Stability and flexibility of heterometallic formate perovskites with the dimethylammonium cation: pressure-induced phase transitions “ PCCP (2019) #mofs

February 2019

January 2019

December 2018

November 2018

  • “Acoustic Phonon Lifetimes Limit Thermal Transport in Methylammonium Lead Iodide” PNAS (2018) #solar #perovskites

  • “Hydrogen Bonding versus Entropy: Revealing the Underlying Thermodynamics of the Hybrid Organic–Inorganic Perovskite [CH3NH3]PbBr3Chemistry of Materials (2018) #phonons #perovskites

October 2018

September 2018

  • “Giant Electron−Phonon Coupling and Deep Conduction Band Resonance in Metal Halide Double Perovskite” ACS Nano (2018) #solar #perovskites

  • “Heterometallic perovskite-type metal–organic framework with an ammonium cation: structure, phonons, and optical response of [NH4]Na0.5CrxAl0.5−x(HCOO)3 (x = 0, 0.025 and 0.5)” PCCP (2018) #mofs

August 2018

July 2018

  • “Machine learning for molecular and materials science” Nature (2018) #design

  • “Taking control of ion transport in halide perovskite solar cells” ACS Energy Letters (2018) #solar #perovskites

June 2018

May 2018

  • “Deep vs shallow nature of oxygen vacancies and consequent n-type carrier concentrations in transparent conducting oxides” Physical Review Materials (2018) #oxides

  • “Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells” Applied Physics Letters (2018) #solar #czts

April 2018

March 2018

February 2018

January 2018

  • “Computer-aided design of metal chalcohalide semiconductors: From chemical composition to crystal structure” Chemical Science (2018) #design

  • “Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskites” Journal of Materials Chemistry A (2018) #solar #perovskites

  • “Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors” Physical Review Materials (2018) #solar #czts