Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TLDR
In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.Abstract:
A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone or over specified portions thereof. This method also has applications in spectral and density-of-state calculations. The relationships to the Chadi-Cohen and Gilat-Raubenheimer methods are indicated.read more
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Journal ArticleDOI
Origin of unusual bandgap shift and dual emission in organic-inorganic lead halide perovskites
M. Ibrahim Dar,Gwénolé Jacopin,Simone Meloni,Alessandro Mattoni,Neha Arora,Ariadni Boziki,Shaik M. Zakeeruddin,Ursula Rothlisberger,Michael Grätzel +8 more
TL;DR: Investigation of the extraordinary photoluminescence behavior of three representatives of this important class of photonic materials provides new insights into the salient emission properties of perovskite materials, which define their performance in solar cells and light-emitting devices.
Journal ArticleDOI
Na2FeP2O7 as a Promising Iron-Based Pyrophosphate Cathode for Sodium Rechargeable Batteries: A Combined Experimental and Theoretical Study
Heejin Kim,Rana Abdul Shakoor,Chan Sun Park,Soo Yeon Lim,Joo-Seong Kim,Yong Nam Jo,Woosuk Cho,Keiichi Miyasaka,Ramazan Kahraman,Yousung Jung,Jang Wook Choi +10 more
TL;DR: In this article, the crystal structure, electrochemical properties, and thermal stability of Na2FeP2O7, the first example ever reported in the pyrophosphate family for SIBs, are investigated.
Journal ArticleDOI
Performance improvement of perovskite solar cells by employing a CdSe quantum dot/PCBM composite as an electron transport layer
Xiaofeng Zeng,Tingwei Zhou,Chongqian Leng,Zhigang Zang,Ming Wang,Wei Hu,Xiaosheng Tang,Shirong Lu,Liang Fang,Miao Zhou +9 more
TL;DR: In this paper, a CdSe quantum dot/PCBM composite was used as an electron transport layer (ETL) to investigate the structure, stability and power conversion efficiency of CH3NH3PbI3−xClx perovskite solar cells.
Journal ArticleDOI
Dependence of band structures on stacking and field in layered graphene
M. Aoki,Hiroshi Amawashi +1 more
TL;DR: In this article, the stability, band structures of few-layer graphite films, and their dependence on electric field applied along the c-axis are examined within the density functional theory. And they predict that those of Bernal type and also rhombohedral type tri-and tetra-layer graphs exhibit stability.
Journal ArticleDOI
Raman Spectra of Monolayer, Few-Layer, and Bulk ReSe2: An Anisotropic Layered Semiconductor
TL;DR: It is found that, as for other transition-metal dichalcogenides, Raman scattering provides a powerful diagnostic tool for studying layer thickness and also layer orientation in few-layer ReSe2.
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