4.7 Article

Antiperovskite Sr3MN and Ba3MN (M = Sb or Bi) as promising photovoltaic absorbers for thin-film solar cells: A first-principles study

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Opportunities of copper addition in CH3NH3PbI3 perovskite and their photovoltaic performance evaluation

Maria Khalid et al.

Summary: The inclusion of copper (Cu) facilitates near-infrared (NIR) absorption with a maximum PCE of 12.85%; the PCE using a 1:1 mixture of MAPbI(3) and MACu(x)I(3) is 12.43%; PSCs based on complete lead substitution with MACu(x)I(3) experience negligible PCE degradation up to 1000 hours.

JOURNAL OF ALLOYS AND COMPOUNDS (2022)

Article Nanoscience & Nanotechnology

Structure-Composition-Property Relationships in Antiperovskite Nitrides: Guiding a Rational Alloy Design

Hongxia Zhong et al.

Summary: Researchers investigated the electronic properties of inorganic antiperovskite nitrides through first-principles calculations, revealing a linear relationship between tolerance factor and various physical quantities, and designed a promising antiperovskite alloy. They also made a comprehensive comparison with conventional halide perovskites to point out the future direction for device applications.

ACS APPLIED MATERIALS & INTERFACES (2021)

Article Computer Science, Interdisciplinary Applications

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

Vei Wang et al.

Summary: VASPKIT is a command-line program that provides a robust and user-friendly interface for high-throughput analysis of material properties. It consists of pre-and post-processing modules, can run on different platforms, and offers rich functionalities and a user-friendly interface.

COMPUTER PHYSICS COMMUNICATIONS (2021)

Article Chemistry, Physical

Synthesis of the Sn-based CaSnS3 chalcogenide perovskite thin film as a highly stable photoabsorber for optoelectronic applications

Hamza Shaili et al.

Summary: The synthesis and characterization of Sn-based CaSnS3 chalcogenide perovskite thin film through a simple chemical route was reported, along with detailed experimental and theoretical investigation. The material exhibited good crystallinity, optical properties, and potential for optoelectronic applications.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Article Energy & Fuels

Solar cell efficiency tables (version 57)

Martin Green et al.

Summary: This article presents consolidated tables showing the highest independently confirmed efficiencies for solar cells and modules, including guidelines for inclusion of results and reviewing new entries since June 2020. It also includes charts showing efficiency improvements since 1993 and an updated list of recognized test centers.

PROGRESS IN PHOTOVOLTAICS (2021)

Article Chemistry, Physical

Superconductivity of centrosymmetric and non-centrosymmetric phases in antiperovskite (Ca,Sr)Pd3P

Akira Iyo et al.

Summary: In the recently discovered antiperovskite phosphide (Ca,Sr)Pd3P, centrosymmetric (CS) and non-centrosymmetric (NCS) superconducting phases appear with a large difference in transition temperatures (T-c), primarily attributed to the decrease in N(0) associated with the structural phase transition.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Review Chemistry, Physical

Machine learning for perovskite materials design and discovery

Qiuling Tao et al.

Summary: The review explores the applications of machine learning in assisting the discovery of perovskite materials, analyzing the development trends, showcasing the workflow, reviewing its applications in different types of perovskites, and suggesting future development prospects in the field.

NPJ COMPUTATIONAL MATERIALS (2021)

Article Physics, Applied

First-principles study of thermodynamic miscibility, structures, and optical properties of Cs2Sn(X1-xYx)6 (X,Y=I, Br, Cl) lead-free perovskite solar cells

Shi-Yu Liu et al.

Summary: The study explores the structural and optical properties of all-inorganic lead-free mixed Cs2Sn(X1-xYx)(6) perovskites, showing different thermodynamic stability and bandgap changes under various doping conditions. This work may contribute to the design of all-inorganic lead-free perovskite solar cells and optoelectronic materials by systematically tuning their bandgap and optical absorption.

APPLIED PHYSICS LETTERS (2021)

Article Chemistry, Physical

Structure, electronic and optical properties of CsPbX3 halide perovskite: A first-principles study

Han Chen et al.

Summary: CsPbX3 perovskites show tunable band gap properties with potential applications in optoelectronic devices across the visible light range. The electronic and optical properties of CsPbX3 are primarily influenced by the halide ratio, allowing for the development of new high-efficient semiconductor materials and optoelectronic devices.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Article Materials Science, Ceramics

Phase stability, mechanical properties and melting points of high-entropy quaternary metal carbides from first-principles

Shi-Yu Liu et al.

Summary: Through calculations, nine new high-entropy metal carbides were predicted and an explanation was provided for the existence of six experimentally realized quaternary high-entropy metal carbides. The results show that these materials possess unique properties of high hardness, high fracture toughness, and ultrahigh melting points.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2021)

Article Chemistry, Multidisciplinary

Design of High-Performance Lead-Free Quaternary Antiperovskites for Photovoltaics via Ion Type Inversion and Anion Ordering

Dan Han et al.

Summary: The emergence of halide double perovskites has opened up new possibilities for lead-free and stable photovoltaic absorbers. However, most halide double perovskites possess large band gaps or transitions that are not ideal for solar cell applications. By designing and screening pnictogen-based quaternary antiperovskites, researchers have identified five stable compounds with promising properties for photovoltaic applications, showing potential for efficiencies exceeding 29%, comparable to or higher than lead-based perovskites.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

Review Chemistry, Multidisciplinary

Antiperovskites with Exceptional Functionalities

Yonggang Wang et al.

ADVANCED MATERIALS (2020)

Article Materials Science, Multidisciplinary

Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)

Yasuhide Mochizuki et al.

PHYSICAL REVIEW MATERIALS (2020)

Article Chemistry, Physical

Computational Screening of Indirect-Gap Semiconductors for Potential Photovoltaic Absorbers

Youngho Kang et al.

CHEMISTRY OF MATERIALS (2019)

Article Chemistry, Physical

Design of Metal-Halide Inverse-Hybrid Perovskites

Julian Gebhardt et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Physics, Applied

Intrinsic Carrier Mobility of Cesium Lead Halide Perovskites

Youngho Kang et al.

PHYSICAL REVIEW APPLIED (2018)

Article Materials Science, Multidisciplinary

Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors

Samuel Ponce et al.

PHYSICAL REVIEW B (2018)

Article Chemistry, Physical

Enhanced Performance of Germanium Halide Perovskite Solar Cells through Compositional Engineering

Indira Kopacic et al.

ACS APPLIED ENERGY MATERIALS (2018)

Review Chemistry, Multidisciplinary

Copper indium gallium selenide based solar cells - a review

Jeyakumar Ramanujam et al.

ENERGY & ENVIRONMENTAL SCIENCE (2017)

Article Materials Science, Ceramics

Tunable negative thermal expansion and structural evolution in antiperovskite Mn3Ga1-xGexN (0 ≤ x ≤ 1.0)

Huiqing Lu et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2017)

Article Chemistry, Physical

Adding to the Perovskite Universe: Inverse-Hybrid Perovskites

Julian Gebhardt et al.

ACS ENERGY LETTERS (2017)

Article Materials Science, Multidisciplinary

First-principles analysis of electron transport in BaSnO3

Karthik Krishnaswamy et al.

PHYSICAL REVIEW B (2017)

Review Multidisciplinary Sciences

Photovoltaic materials: Present efficiencies and future challenges

Albert Polman et al.

SCIENCE (2016)

Article Chemistry, Physical

Study on the electronic structures and optical absorption of F center in the SrO crystal with G0W0-BSE

Changmin Ma et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2016)

Article Chemistry, Physical

Relativistic electronic structure and band alignment of BiSI and BiSeI: candidate photovoltaic materials

Alex M. Ganose et al.

JOURNAL OF MATERIALS CHEMISTRY A (2016)

Editorial Material Energy & Fuels

Commercial progress and challenges for photovoltaics

Martin A. Green

NATURE ENERGY (2016)

Article Energy & Fuels

Towards stable and commercially available perovskite solar cells

Nam-Gyu Park et al.

NATURE ENERGY (2016)

Article Materials Science, Multidisciplinary

Ab initio calculation of ionization potential and electron affinity in solid-state organic semiconductors

Youngho Kang et al.

PHYSICAL REVIEW B (2016)

Review Nanoscience & Nanotechnology

Metal-halide perovskites for photovoltaic and light-emitting devices

Samuel D. Stranks et al.

NATURE NANOTECHNOLOGY (2015)

Article Chemistry, Physical

Stability of Metal Halide Perovskite Solar Cells

Tomas Leijtens et al.

ADVANCED ENERGY MATERIALS (2015)

Review Materials Science, Multidisciplinary

Perovskite Oxides as Resistive Switching Memories: A Review

Debashis Panda et al.

FERROELECTRICS (2014)

Review Optics

The emergence of perovskite solar cells

Martin A. Green et al.

NATURE PHOTONICS (2014)

Article Materials Science, Multidisciplinary

First-principles study of the mobility of SrTiO3

Burak Himmetoglu et al.

PHYSICAL REVIEW B (2014)

Article Materials Science, Multidisciplinary

GW calculations on post-transition-metal oxides

Youngho Kang et al.

PHYSICAL REVIEW B (2014)

Article Chemistry, Physical

Near perfect solar absorption in ultra-thin-film GaAs photonic crystals

Sergey Eyderman et al.

JOURNAL OF MATERIALS CHEMISTRY A (2014)

Article Engineering, Electrical & Electronic

First-principles study of the growth thermodynamics of Pt on SrTiO3 (001)

Hosung Seo et al.

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B (2012)

Review Green & Sustainable Science & Technology

A review of solar photovoltaic technologies

Bhubaneswari Parida et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2011)

Article Materials Science, Ceramics

Negative Thermal Expansion and Correlated Magnetic and Electrical Properties of Si-Doped Mn3GaN Compounds

Ying Sun et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2010)

Article Physics, Multidisciplinary

Restoring the density-gradient expansion for exchange in solids and surfaces

John P. Perdew et al.

PHYSICAL REVIEW LETTERS (2008)

Article Materials Science, Multidisciplinary

Self-consistent GW calculations for semiconductors and insulators

M. Shishkin et al.

PHYSICAL REVIEW B (2007)

Correction Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential (vol 118, pg 8207, 2003)

Jochen Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Inorganic & Nuclear

(Sr3N)E and (Ba3N)E (E = Sb, Bi): Synthesis, crystal structures, and physical properties

F Gabler et al.

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE (2004)

Article Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential

J Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Review Chemistry, Multidisciplinary

Chemical structures and performance of perovskite oxides

MA Peña et al.

CHEMICAL REVIEWS (2001)