Enhanced Visible Light Absorption for Lead-free Double Perovskite Cs2AgSbBr6
From Atomistic Simulation @ Cambridge. Published on Mar 12, 2019.
Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure
From Atomistic Simulation @ Cambridge. Published on Feb 18, 2019.
Effect of magnetism and temperature on the stability of (Crx,V1-x)2AlC phases
From Atomistic Simulation @ Cambridge. Published on Dec 28, 2018.
A predictive modeling study of the impact of chemical doping on the strength of a Ag/ZnO interface
From Atomistic Simulation @ Cambridge. Published on Dec 20, 2018.
Carbon nanotube functionalization as a route to enhancing the electrical and mechanical properties of Cu–CNT composites
From Atomistic Simulation @ Cambridge. Published on Dec 11, 2018.
Adatom dynamics and the surface reconstruction of Si(110) revealed using time-resolved electron microscopy
From Atomistic Simulation @ Cambridge. Published on Nov 02, 2018.
The competition between mechanical stability and charge carrier mobility in MA-based hybrid perovskites: insight from DFT
From Atomistic Simulation @ Cambridge. Published on Oct 16, 2018.
Octahedral connectivity and its role in determining the phase stabilities and electronic structures of low-dimensional, perovskite-related iodoplumbates
From Atomistic Simulation @ Cambridge. Published on Sep 14, 2018.
Fundamental carrier lifetime exceeding 1 μs in Cs2AgBiBr6 double perovskite
From Atomistic Simulation @ Cambridge. Published on May 23, 2018.
Learning models for electron densities with Bayesian regression
From Atomistic Simulation @ Cambridge. Published on Apr 09, 2018.
Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br6
From Atomistic Simulation @ Cambridge. Published on Nov 13, 2017.
[Am]Mn(H2POO)3: a new family of hybrid perovskites based on the hypophosphite ligand
From Atomistic Simulation @ Cambridge. Published on Oct 25, 2017.
Synthesis and characterization of the rare-earth hybrid double perovskites: (CH3NH3)2KGdCl6 and (CH3NH3)2KYCl6
From Atomistic Simulation @ Cambridge. Published on Sep 27, 2017.
Controlling Ag diffusion in ZnO by donor doping: A first principles study
From Atomistic Simulation @ Cambridge. Published on Sep 15, 2017.
Point defect formation in M2AlC (M = Zr,Cr) MAX phases and their tendency to disorder and amorphize
From Atomistic Simulation @ Cambridge. Published on Aug 29, 2017.
Factors influencing the mechanical properties of formamidinium lead halides and related hybrid perovskites
From Atomistic Simulation @ Cambridge. Published on Jun 30, 2017.
Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study
From Atomistic Simulation @ Cambridge. Published on Jun 14, 2017.
Breaking the electrical barrier between copper and carbon nanotubes
From Atomistic Simulation @ Cambridge. Published on Jun 06, 2017.
Anomalous diffusion of single metal atoms on a graphene oxide support
From Atomistic Simulation @ Cambridge. Published on Apr 21, 2017.
Identifying early stage precipitation in large-scale atomistic simulations of superalloys
From Atomistic Simulation @ Cambridge. Published on Feb 16, 2017.
Improving the electrical properties of carbon nanotubes with inter halogen compounds
From Atomistic Simulation @ Cambridge. Published on Jan 10, 2017.
Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH3NH3)2AgBiBr6
From Atomistic Simulation @ Cambridge. Published on Jan 06, 2017.
Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach
From Atomistic Simulation @ Cambridge. Published on Aug 21, 2016.
Impact of amorphization on the electronic properties of Zn-Ir-O systems
From Atomistic Simulation @ Cambridge. Published on Jun 29, 2016.
Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites
From Atomistic Simulation @ Cambridge. Published on May 27, 2016.
Disorder and polymorphism in Cu(II)-polyoxometalate complexes: [Cu-1.5(H2O)(7.5)PW12O40]center dot 4.75H(2)O, cis- & trans-[Cu-2(H2O)(10)SiW12O40]center dot 6H(2)O
From Atomistic Simulation @ Cambridge. Published on May 19, 2016.
Effect of compression on the electronic, optical and transport properties of MoS2graphene-based junctions
From Atomistic Simulation @ Cambridge. Published on Apr 29, 2016.
The synthesis, structure and electronic properties of a lead-free hybrid inorganic-organic double perovskite
From Atomistic Simulation @ Cambridge. Published on Apr 14, 2016.
Synthesis, crystal structure, and properties of a perovskite-related bismuth phase, (NH4)3Bi2I9
From Atomistic Simulation @ Cambridge. Published on Feb 29, 2016.