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Open AccessJournal ArticleDOI

Employing Lead Thiocyanate Additive to Reduce the Hysteresis and Boost the Fill Factor of Planar Perovskite Solar Cells.

TLDR
Lead thiocyanate in the perovskite precursor can increase the grain size of a perovSkite thin film and reduce the conductivity of the grain boundaries, leading to perovkite solar cells with reduced hysteresis and enhanced fill factor.
Abstract
Lead thiocyanate in the perovskite precursor can increase the grain size of a perovskite thin film and reduce the conductivity of the grain boundaries, leading to perovskite solar cells with reduced hysteresis and enhanced fill factor. A planar perovskite solar cell with grain boundary and interface passivation achieves a steady-state efficiency of 18.42%.

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Journal ArticleDOI

Lead-Free Inverted Planar Formamidinium Tin Triiodide Perovskite Solar Cells Achieving Power Conversion Efficiencies up to 6.22.

TL;DR: Efficient lead (Pb)-free inverted planar formamidinium tin triiodide (FASnI3 ) perovskite solar cells (PVSCs) are demonstrated and exhibit small photocurrent-voltage hysteresis and high reproducibility.
Journal ArticleDOI

Thermally Stable MAPbI3 Perovskite Solar Cells with Efficiency of 19.19% and Area over 1 cm2 achieved by Additive Engineering.

TL;DR: An additive-engineering strategy is developed to realize a facile and convenient fabrication method of large-area uniform perovskite films composed of large crystal size and low density of defects, which is found to simultaneously enhance the PCE and the durability of PSCs.
Journal ArticleDOI

Perovskite precursor solution chemistry: from fundamentals to photovoltaic applications.

TL;DR: The fundamental background knowledge of nucleation and crystal growth processes in solution including the LaMer model and Ostwald ripening process is described and the contemporary progress in chemical precursor composition is provided to comprehend the current research approaches to further enhance photovoltaic performance and device stability.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI

Projector augmented-wave method

TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI

From ultrasoft pseudopotentials to the projector augmented-wave method

TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI

Ab initio molecular dynamics for liquid metals.

TL;DR: In this paper, the authors present an ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local density approximation.
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