First-principles study of lead-free double perovskites K2Pt(Cl/Br)6 for optoelectronic and renewable energy applications

Insight into pressure tunable structural, electronic and optical properties of "Equation missing" No EquationSource Format="TEX", only image via DFT calculations

(2020) Malak Azmat Ali et al.   European Physical Journal Plus

Exploration of magnesium based MgX2O4 (X = Rh, Bi) spinels for thermoelectric applications using density functional theory (DFT)

(2020) Farzana Majid et al.   Journal of Materials Research and Technology-JMR&T

Bulk and monolayer bismuth oxyiodide (BiOI): Excellent high temperature p-type thermoelectric materials

(2020) Muhammad Sajjad et al.   AIP Advances

Spinel-type Na2MoO4 and Na2WO4 as promising optoelectronic materials: First-principle DFT calculations

(2020) Syed Adeel Abbas et al.   CHEMICAL PHYSICS

Promising high-temperature thermoelectric response of bismuth oxybromide

(2020) Deobrat Singh et al.   Results in Physics

The first-principle study of mechanical, optical and thermoelectric properties of SnZrO3 and SnHfO3 for renewable energy applications

(2019) Q. Mahmood et al.   SOLID STATE COMMUNICATIONS

Ab-initio simulations of MgTiO3 oxide at different pressure

(2019) Sadia Nazir et al.   High Energy Density Physics

Ultralow lattice thermal conductivity of chalcogenide perovskite CaZrSe3 contributes to high thermoelectric figure of merit

(2019) Eric Osei-Agyemang et al.   npj Computational Materials

Stabilizing Lead-Free All-Inorganic Tin Halide Perovskites by Ion Exchange

(2018) Junke Jiang et al.   Journal of Physical Chemistry C

Lithium Hexastannate: A Potential Material for Energy Storage

(2018) Yohandys A. Zulueta et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Building a Six-Junction Inverted Metamorphic Concentrator Solar Cell

(2018) John F. Geisz et al.   IEEE Journal of Photovoltaics

Earth-Abundant Nontoxic Titanium(IV)-based Vacancy-Ordered Double Perovskite Halides with Tunable 1.0 to 1.8 eV Bandgaps for Photovoltaic Applications

(2018) Ming-Gang Ju et al.   ACS Energy Letters

Impeding phonon transport through superlattices of organic–inorganic halide perovskites

(2017) Rahul Singh et al.   RSC Advances

Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations

(2017) Md Roknuzzaman et al.   Scientific Reports

Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs2SnI6

(2016) Bayrammurad Saparov et al.   CHEMISTRY OF MATERIALS

Ruddlesden–Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors

(2016) Constantinos C. Stoumpos et al.   CHEMISTRY OF MATERIALS

A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications

(2016) Adam H. Slavney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ligand-Hole in [SnI6] Unit and Origin of Band Gap in Photovoltaic Perovskite Variant Cs2SnI6

(2015) Zewen Xiao et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Optoelectronic properties of XIn2S4 (X=Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations

(2015) Masood Yousaf et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Theoretical studies of the pressure-induced phase transition and elastic properties of BeS

(2015) Xu Ji et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First principles study of structural, elastic, electronic and magnetic properties of Mn-doped AlY (Y=N, P, As) compounds

(2015) M. Sajjad et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs2SnI6 as a Hole Conductor

(2014) Byunghong Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: A Density Functional Analysis

(2013) Giacomo Giorgi et al.   Journal of Physical Chemistry Letters

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

(2013) Julian Burschka et al.   NATURE

CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions

(2012) In Chung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

All-solid-state dye-sensitized solar cells with high efficiency

(2012) In Chung et al.   NATURE

Topological insulator phase in halide perovskite structures

(2012) Hosub Jin et al.   PHYSICAL REVIEW B

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

(2012) M. M. Lee et al.   SCIENCE

Charge-transport in tin-iodide perovskite CH3NH3SnI3: origin of high conductivity

(2011) Yukari Takahashi et al.   DALTON TRANSACTIONS

Modeling of lattice constant and their relations with ionic radii and electronegativity of constituting ions of A2XY6 cubic crystals (A=K, Cs, Rb, Tl; X=tetravalent cation, Y=F, Cl, Br, I)

(2011) M.G. Brik et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Interplay ofp−dandd−dcharge transfer transitions in rare-earth perovskite manganites

(2010) A. S. Moskvin et al.   PHYSICAL REVIEW B

Topological insulators on the Lieb and perovskite lattices

(2010) C. Weeks et al.   PHYSICAL REVIEW B

Self-Assembled Perovskite-Fluorite Oblique Nanostructures for Adaptive (Tunable) Electronics

(2009) Tomoaki Yamada et al.   ADVANCED MATERIALS

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

(2009) Akihiro Kojima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE