Cs2NaGaBr6: a new lead-free and direct band gap halide double perovskite

Yasir Saeed; Bin Amin; Haleema Khalil; Fida Rehman; Hazrat Ali; M. Imtiaz Khan; Asif Mahmood; M. Shafiq

doi:10.1039/d0ra01764g

Cs2NaGaBr6: a new lead-free and direct band gap halide double perovskite

RSC Advances ◽

10.1039/d0ra01764g ◽

2020 ◽

Vol 10 (30) ◽

pp. 17444-17451 ◽

Cited By ~ 2

Author(s):

Yasir Saeed ◽

Bin Amin ◽

Haleema Khalil ◽

Fida Rehman ◽

Hazrat Ali ◽

...

Keyword(s):

Band Gap ◽

Double Perovskite ◽

Lead Free ◽

Direct Band Gap ◽

Perovskite Materials ◽

Direct Band

In this work, we have studied new double perovskite materials, A21+B2+B3+X61−, where A21+ = Cs, B2+ = Li, Na, B3+ = Al, Ga, In, and X61−.

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Lead-Free Direct Band Gap Double-Perovskite Nanocrystals with Bright Dual-Color Emission

Journal of the American Chemical Society ◽

10.1021/jacs.8b07424 ◽

2018 ◽

Vol 140 (49) ◽

pp. 17001-17006 ◽

Cited By ~ 143

Author(s):

Bin Yang ◽

Xin Mao ◽

Feng Hong ◽

Weiwei Meng ◽

Yuxuan Tang ◽

...

Keyword(s):

Band Gap ◽

Double Perovskite ◽

Lead Free ◽

Perovskite Nanocrystals ◽

Direct Band Gap ◽

Dual Color ◽

Direct Band ◽

Color Emission

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Cs2TlBiI6: a new lead-free halide double perovskite with direct band gap

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ab32a5 ◽

2019 ◽

Vol 31 (44) ◽

pp. 445902 ◽

Cited By ~ 3

Author(s):

Shruthi Nair ◽

Mrinalini Deshpande ◽

Vaishali Shah ◽

Subhash Ghaisas ◽

Sandesh Jadkar

Keyword(s):

Band Gap ◽

Double Perovskite ◽

Lead Free ◽

Direct Band Gap ◽

Direct Band

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Correction: Cs2NaGaBr6: a new lead-free and direct band gap halide double perovskite

RSC Advances ◽

10.1039/d0ra90062a ◽

2020 ◽

Vol 10 (34) ◽

pp. 20196-20196

Author(s):

Yasir Saeed ◽

Bin Amin ◽

Haleema Khalil ◽

Fida Rehman ◽

Hazrat Ali ◽

...

Keyword(s):

Band Gap ◽

Double Perovskite ◽

Lead Free ◽

Direct Band Gap ◽

Direct Band

Correction for ‘Cs2NaGaBr6: a new lead-free and direct band gap halide double perovskite’ by Yasir Saeed et al., RSC Adv., 2020, 10, 17444–17451, DOI: 10.1039/D0RA01764G.

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Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.6b02682 ◽

2017 ◽

Vol 8 (4) ◽

pp. 772-778 ◽

Cited By ~ 302

Author(s):

George Volonakis ◽

Amir Abbas Haghighirad ◽

Rebecca L. Milot ◽

Weng H. Sio ◽

Marina R. Filip ◽

...

Keyword(s):

Band Gap ◽

Double Perovskite ◽

Lead Free ◽

Direct Band Gap ◽

Direct Band

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Analysis of Direct Band Gap A2ScInI6 (A=Rb, Cs) Double Perovskite Halides Using DFT Approach for Renewable Energy Devices

Journal of Materials Research and Technology ◽

10.1016/j.jmrt.2021.05.080 ◽

2021 ◽

Author(s):

N.A. Noor ◽

M. Waqas Iqbal ◽

Taharh Zelai ◽

Asif Mahmood ◽

H.M. Shaikh ◽

...

Keyword(s):

Renewable Energy ◽

Band Gap ◽

Double Perovskite ◽

Energy Devices ◽

Direct Band Gap ◽

Direct Band

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Direct band gap halide-double-perovskite absorbers for solar cells and light emitting diodes: Ab initio study of bulk and layers

Physical Review Materials ◽

10.1103/physrevmaterials.5.095401 ◽

2021 ◽

Vol 5 (9) ◽

Author(s):

Anu Bala ◽

Vijay Kumar

Keyword(s):

Solar Cells ◽

Ab Initio ◽

Band Gap ◽

Light Emitting Diodes ◽

Double Perovskite ◽

Ab Initio Study ◽

Light Emitting ◽

Direct Band Gap ◽

Direct Band

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Lead-Free Broadband Orange-Emitting Zero-Dimensional Hybrid (PMA)3InBr6 with Direct Band Gap

Inorganic Chemistry ◽

10.1021/acs.inorgchem.9b02669 ◽

2019 ◽

Vol 58 (22) ◽

pp. 15602-15609 ◽

Cited By ~ 9

Author(s):

Da Chen ◽

Shiqiang Hao ◽

Guojun Zhou ◽

Chenkai Deng ◽

Quanlin Liu ◽

...

Keyword(s):

Band Gap ◽

Lead Free ◽

Direct Band Gap ◽

Direct Band

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Lead-free perovskite ferroelectric thin films with narrow direct band gap suitable for solar cell applications

Materials Research Bulletin ◽

10.1016/j.materresbull.2017.07.020 ◽

2017 ◽

Vol 95 ◽

pp. 56-60 ◽

Cited By ~ 12

Author(s):

Qingfeng Zhang ◽

Fang Xu ◽

Maji Xu ◽

Lei Li ◽

Yinmei Lu ◽

...

Keyword(s):

Thin Films ◽

Solar Cell ◽

Band Gap ◽

Ferroelectric Thin Films ◽

Lead Free ◽

Direct Band Gap ◽

Direct Band

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New Lead Free Halide Double Perovskite Materials: Potential Substitutes Towards Green Technology and Stable Optoelectronic Application

10.21203/rs.3.rs-263059/v1 ◽

2021 ◽

Author(s):

Muskan Nabi ◽

Dinesh C. Gupta

Keyword(s):

Band Gap ◽

Density Functional ◽

Chemical Potential ◽

Mechanical Stability ◽

Double Perovskite ◽

Green Technology ◽

Lead Free ◽

Optoelectronic Application ◽

Perovskite Materials ◽

Small Band

Abstract Explorations of new stable lead free perovskites have currently achieved substantial interest in the field of photovoltaics and optoelectronics as it tries to overcome the instability issue and avoid toxicity related with the lead based perovskites. We herein not only comprehensively tried to explain the experimentally synthesized two inorganic halide double perovskite materials but exploring their broader structural stability and also provide us a guideline to better understand their possible potential applications. For this purpose we performed density functional theory to investigate the structural, electronic, optical, elastic and thermoelectric properties of these materials. The stability of these cubic materials is validated by optimizing the structure, from the tolerance factor, mechanical stability test. These materials are found to be small band gap semiconductors with outshining optoelectronic performance. Due to high optical absorption, high conductivity and low reflectivity they have great potential to be used as a light absorbing material for photovoltaic application. Because, of small band gap we also tried to explore the variation of various transport properties with chemical potential. The semiconducting nature of materials results in ZT close to unity predicting its excellent application in thermoelectric technology.

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