A first-principles study on the optoelectronic properties of mixed-halide double perovskites Cs2TiI6−xBrx

Diwen Liu; Wenying Zha; Rusheng Yuan; Jianming Chen; Rongjian Sa

doi:10.1039/d0nj02535f

A first-principles study on the optoelectronic properties of mixed-halide double perovskites Cs2TiI6−xBrx

New Journal of Chemistry ◽

10.1039/d0nj02535f ◽

2020 ◽

Vol 44 (32) ◽

pp. 13613-13618 ◽

Cited By ~ 2

Author(s):

Diwen Liu ◽

Wenying Zha ◽

Rusheng Yuan ◽

Jianming Chen ◽

Rongjian Sa

Keyword(s):

First Principles ◽

Optoelectronic Properties ◽

Double Perovskites ◽

First Principles Study ◽

Photovoltaic Materials

All-inorganic double perovskites as promising photovoltaic materials have received great attention in recent years.

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Optoelectronic properties of van der Waals stacked homo- and hetero-bilayers of tin-monochalcogenides: A first-principles study

Surfaces and Interfaces ◽

10.1016/j.surfin.2021.101083 ◽

2021 ◽

pp. 101083

Author(s):

Bakhtiar Ul Haq

Keyword(s):

First Principles ◽

Van Der Waals ◽

Optoelectronic Properties ◽

First Principles Study

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First-principles study of lead-free double perovskites Rb2TeX6 (X = Cl, Br, and I) for solar cells and renewable energy

Materials Science and Engineering B ◽

10.1016/j.mseb.2021.115064 ◽

2021 ◽

Vol 266 ◽

pp. 115064

Author(s):

Q. Mahmood ◽

M.H. Alhossainy ◽

M.S. Rashid ◽

Tahani H. Flemban ◽

Hind Althib ◽

...

Keyword(s):

Renewable Energy ◽

Solar Cells ◽

First Principles ◽

Lead Free ◽

Double Perovskites ◽

First Principles Study

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Structural, chemical bonding and optoelectronic properties of Mg doped zinc chalcogenides: A first principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2014.09.016 ◽

2014 ◽

Vol 26 ◽

pp. 681-689 ◽

Cited By ~ 23

Author(s):

Naeem Ullah ◽

G. Murtaza ◽

R. Khenata ◽

Jan Rehman ◽

Haleem Ud Din ◽

...

Keyword(s):

Chemical Bonding ◽

First Principles ◽

Optoelectronic Properties ◽

First Principles Study ◽

Mg Doped

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Electronic properties and crystal structures of double-perovskites, Ba2BiIIIBiVO6,Ba2PrBiO6, and Ba2PrSbO6: First-principles study

Materials Research Express ◽

10.1088/2053-1591/ab97e5 ◽

2020 ◽

Vol 7 (6) ◽

pp. 065505

Author(s):

Kazume Nishidate ◽

Achy Adiko ◽

Michiaki Matsukawa ◽

Haruka Taniguchi ◽

Arisa Sato ◽

...

Keyword(s):

Electronic Properties ◽

Crystal Structures ◽

First Principles ◽

Double Perovskites ◽

First Principles Study

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First-Principles Study of Lead-Free Double Perovskites Ga2PdX6 (X = Cl, Br, and I) for Solar Cells and Renewable Energy

Journal of Materials Research and Technology ◽

10.1016/j.jmrt.2021.12.002 ◽

2021 ◽

Author(s):

Taharh Zelai ◽

Syed Awais Rouf ◽

Q. Mahmood ◽

S. Bouzgarrou ◽

Mohammed A. Amin ◽

...

Keyword(s):

Renewable Energy ◽

Solar Cells ◽

First Principles ◽

Lead Free ◽

Double Perovskites ◽

First Principles Study

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First-principles study on structural, mechanical and optoelectronic properties of lead-free mixed Ge–Sn hybrid organic-inorganic perovskites

Solid State Communications ◽

10.1016/j.ssc.2020.114024 ◽

2020 ◽

Vol 320 ◽

pp. 114024

Author(s):

K. Hossain ◽

S. Khanom ◽

F. Israt ◽

M.K. Hossain ◽

M.A. Hossain ◽

...

Keyword(s):

First Principles ◽

Optoelectronic Properties ◽

Lead Free ◽

First Principles Study

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First-Principles Study on the Structure, Electronic, and Optical Properties of Cs2AgBiBr6-xClx Mixed-Halide Double Perovskites

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b11827 ◽

2020 ◽

Vol 124 (9) ◽

pp. 5371-5377 ◽

Cited By ~ 3

Author(s):

Jing Su ◽

Tong Mou ◽

Jing Wen ◽

Bin Wang

Keyword(s):

Optical Properties ◽

First Principles ◽

Double Perovskites ◽

Electronic And Optical Properties ◽

First Principles Study

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Chemical Trends in the Thermodynamic Stability and Band Gaps of 980 Halide Double Perovskites: A High-Throughput First-Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.0c03622 ◽

2020 ◽

Vol 12 (18) ◽

pp. 20680-20690 ◽

Cited By ~ 3

Author(s):

Tao Zhang ◽

Zenghua Cai ◽

Shiyou Chen

Keyword(s):

High Throughput ◽

Thermodynamic Stability ◽

First Principles ◽

Band Gaps ◽

Double Perovskites ◽

First Principles Study ◽

Chemical Trends

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First principles study of structural and optoelectronic properties of Li based half Heusler alloys

Computational Condensed Matter ◽

10.1016/j.cocom.2018.01.002 ◽

2018 ◽

Vol 14 ◽

pp. 55-66 ◽

Cited By ~ 18

Author(s):

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti ◽

A.K. Kushwaha

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Optoelectronic Properties ◽

First Principles Study ◽

Structural And Optoelectronic Properties

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First-principles study on the structural, elastic, electronic and optical properties of lead-free double perovskites Cs2CuBiX6 (X=I, Br, Cl)

Materials Today Communications ◽

10.1016/j.mtcomm.2021.102842 ◽

2021 ◽

pp. 102842

Author(s):

De-Yuan Hu ◽

Xian-Hao Zhao ◽

Tian-Yu Tang ◽

Li-Min Lu ◽

Li Li ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Lead Free ◽

Double Perovskites ◽

Electronic And Optical Properties ◽

First Principles Study

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