Compatibility of Al-doped ZnO electron transport layer with various HTLs and absorbers in perovskite solar cells

N. S. N. M. Alias; F. Arith; A. N. M. Mustafa; A. N. M. Mustafa; M. M. Ismail; S. A. M. Chachuli; A. S. M. Shah

doi:10.1364/AO.455550

Applied Optics
Vol. 61,
Issue 15,
pp. 4535-4542
(2022)
•https://doi.org/10.1364/AO.455550

Compatibility of Al-doped ZnO electron transport layer with various HTLs and absorbers in perovskite solar cells

N. S. N. M. Alias, F. Arith, A. N. M. Mustafa, M. M. Ismail, S. A. M. Chachuli, and A. S. M. Shah

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N. S. N. M. Alias, F. Arith, A. N. M. Mustafa, M. M. Ismail, S. A. M. Chachuli, and A. S. M. Shah, "Compatibility of Al-doped ZnO electron transport layer with various HTLs and absorbers in perovskite solar cells," Appl. Opt. 61, 4535-4542 (2022)

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Abstract

Perovskite solar cells (PSCs) have shown a significant improvement in cell performance in photovoltaics technology. The commonly used light absorbing material of halide-based perovskite in PSCs has produced high efficiency cells with low cost and a simple fabrication process. However, it contains the harmful substance of Pb, which affects the environment, and the cell still suffers from instability in the long run. Therefore, this work presents a theoretical study of the Pb-free absorber layer of ${{\rm CH}_3}{{\rm NH}_3}{{\rm SnI}_3}$ that is paired for compatibility with various types of hole transport layers (HTLs). Several key parameters of the absorbent layer and HTL have been optimized to produce the highest power conversion efficiency (PCE) using 1D-SCAPS software under AM 1.5 illumination. It was found that the combination of ${{\rm Cu}_2}{\rm O}$ and ${{\rm CH}_3}{{\rm NH}_3}{{\rm SnI}_3}$ used as the HTL and absorbent layer, respectively, has resulted in great PCE as high as 27.72%. These findings prove that the use of inorganic HTLs and Pb-free perovskite layers is promising for use in PSCs.

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	Spiro-OMeTAD [27]	${C u}_{2} O$ [28]	CuI [29]	CuSCN [30]	PEDOT:PSS [31]	${C H}_{3} {N H}_{3} {P b I}_{3}$ [27]	${C H}_{3} {N H}_{3} {S n I}_{3}$	ZnO:Al (1 mol. %) [21]
Thickness (nm)	100	100	100	100	100	400	700	50
Eg (eV)	3.17	2.17	2.98	3.4	2.2	1.55	1.3	3.25
$X$ (eV)	2.05	3.2	2.1	1.9	2.9	3.9	4.17	4
$ε / ε_{0}$	3	6.6	6.5	8.2	3.0	10	8.2	9
$N_{c} ({c m}^{- 3})$	$2.2 \times 10^{18}$	$2.5 \times 10^{20}$	$2.8 \times 10^{19}$	$1.7 \times 10^{19}$	$2.2 \times 10^{15}$	$2.75 \times 10^{18}$	$1 \times 10^{18}$	$2 \times 10^{18}$
$N_{v} ({c m}^{- 3})$	$1.8 \times 10^{19}$	$2.5 \times 10^{20}$	$1.0 \times 10^{19}$	$2.5 \times 10^{21}$	$1.8 \times 10^{18}$	$3.9 \times 10^{18}$	$1 \times 10^{18}$	$1.8 \times 10^{19}$
$μ_{e} ({c m}^{2} / V_{s})$	$2 \times 10^{- 4}$	80	0.00017	0.0001	0.02	10	1.6	300
$μ_{h} ({c m}^{2} / V_{s})$	$2 \times 10^{- 4}$	80	0.0002	0.1	0.0002	10	1.6	25
$N_{D} ({c m}^{- 3})$	0	0	0	0	0	$1 \times 10^{9}$	0	$7.25 \times 10^{18}$
$N_{A} ({c m}^{- 3})$	$1 \times 10^{19}$	$1 \times 10^{18}$	$1 \times 10^{18}$	$1 \times 10^{18}$	$3.17 \times 10^{15}$	$1 \times 10^{19}$	$3.2 \times 10^{15}$	0
$N_{t} ({c m}^{- 3})$	$1 \times 10^{15}$	$1 \times 10^{15}$	$1 \times 10^{15}$	$1 \times 10^{14}$	$1 \times 10^{15}$	$1 \times 10^{16}$	$1 \times 10^{12}$	$1 \times 10^{15}$
$V_{e} (c m s^{- 1})$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$
$V_{h} (c m s^{- 1})$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$

	ETL/Absorber [22]	Absorber/HTL [22]	${C H}_{3} {N H}_{3} {P b I}_{3}$ [27]	${C H}_{3} {N H}_{3} {S n I}_{3}$ [32]
Defect type	Neutral	Neutral	Neutral	Neutral
Capture cross section for electron and holes ( ${c m}^{- 2}$ )	$1 \times 10^{- 19}$	$1 \times 10^{- 19}$	$1 \times 10^{- 15}$	$1 \times 10^{- 15}$
Energetic distribution	Single	Single	Single	Single
Energy level with respect to Ey	0.6	0.6	0.6	0.7
Characteristics energy (eV)	—	—	—	—
Total density ( ${c m}^{- 3}$ )	$1 \times 10^{18}$	$1 \times 10^{14}$	$1 \times 10^{16}$	$1 \times 10^{12}$

Types of	Highest PCE (%) Paired with Optimized Parameter
HTL	Thickness	Doping	Temperature	Defect
Spiro-OMETAD	17.47	17.55	17.47	17.47
${C u}_{2} O$	17.71	17.63	17.52	17.6
CuI	12.44	14.6	13.81	12.39
CuSCN	17.17	17.49	17.17	17.17
PEDOT:PSS	12.49	17.57	7.81	11.5

Types of Absorber Layer	Highest PCE (%) Paired with Optimized Parameter
${C H}_{3} {N H}_{3} {P b I}_{3}$	18.67
${C H}_{3} {N H}_{3} {S n I}_{3}$	27.72

	Spiro-OMeTAD [27]	${C u}_{2} O$ [28]	CuI [29]	CuSCN [30]	PEDOT:PSS [31]	${C H}_{3} {N H}_{3} {P b I}_{3}$ [27]	${C H}_{3} {N H}_{3} {S n I}_{3}$	ZnO:Al (1 mol. %) [21]
Thickness (nm)	100	100	100	100	100	400	700	50
Eg (eV)	3.17	2.17	2.98	3.4	2.2	1.55	1.3	3.25
$X$ (eV)	2.05	3.2	2.1	1.9	2.9	3.9	4.17	4
$ε / ε_{0}$	3	6.6	6.5	8.2	3.0	10	8.2	9
$N_{c} ({c m}^{- 3})$	$2.2 \times 10^{18}$	$2.5 \times 10^{20}$	$2.8 \times 10^{19}$	$1.7 \times 10^{19}$	$2.2 \times 10^{15}$	$2.75 \times 10^{18}$	$1 \times 10^{18}$	$2 \times 10^{18}$
$N_{v} ({c m}^{- 3})$	$1.8 \times 10^{19}$	$2.5 \times 10^{20}$	$1.0 \times 10^{19}$	$2.5 \times 10^{21}$	$1.8 \times 10^{18}$	$3.9 \times 10^{18}$	$1 \times 10^{18}$	$1.8 \times 10^{19}$
$μ_{e} ({c m}^{2} / V_{s})$	$2 \times 10^{- 4}$	80	0.00017	0.0001	0.02	10	1.6	300
$μ_{h} ({c m}^{2} / V_{s})$	$2 \times 10^{- 4}$	80	0.0002	0.1	0.0002	10	1.6	25
$N_{D} ({c m}^{- 3})$	0	0	0	0	0	$1 \times 10^{9}$	0	$7.25 \times 10^{18}$
$N_{A} ({c m}^{- 3})$	$1 \times 10^{19}$	$1 \times 10^{18}$	$1 \times 10^{18}$	$1 \times 10^{18}$	$3.17 \times 10^{15}$	$1 \times 10^{19}$	$3.2 \times 10^{15}$	0
$N_{t} ({c m}^{- 3})$	$1 \times 10^{15}$	$1 \times 10^{15}$	$1 \times 10^{15}$	$1 \times 10^{14}$	$1 \times 10^{15}$	$1 \times 10^{16}$	$1 \times 10^{12}$	$1 \times 10^{15}$
$V_{e} (c m s^{- 1})$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$
$V_{h} (c m s^{- 1})$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$	$1 \times 10^{7}$

Abstract

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Applied Optics