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Methylammonium iodide (MAI), also referred to as methylamine hydroiodide,?is a precursor for the synthesis of organic-inorganic hybrid perovskites for use in FETs, LEDs and PVs.

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  • 14965-49-2 Structure
  • Basic information

    1. Product Name: methylammonium iodide
    2. Synonyms: methylammonium iodide;Methylamine·hydriodic acid;CH3NH3I (MAI);MethylazaniuM;MethanaMine, hydriodide(9CI);MethanaMiniuM iodide;Methanamine hydriodide;Methylamine Hydroiodide
    3. CAS NO:14965-49-2
    4. Molecular Formula: CH6N*I
    5. Molecular Weight: 158.96951
    6. EINECS: 239-037-4
    7. Product Categories: N/A
    8. Mol File: 14965-49-2.mol
    9. Article Data: 115
  • Chemical Properties

    1. Melting Point: 270-280°C
    2. Boiling Point: N/A
    3. Flash Point: 12℃
    4. Appearance: /
    5. Density: N/A
    6. Vapor Pressure: 3970mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
    9. Solubility: Methanol (Slightly), Water
    10. CAS DataBase Reference: methylammonium iodide(CAS DataBase Reference)
    11. NIST Chemistry Reference: methylammonium iodide(14965-49-2)
    12. EPA Substance Registry System: methylammonium iodide(14965-49-2)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-36/37/38
    3. Safety Statements: 26-36/37/39-46-24/25
    4. RIDADR: UN1219 - class 3 - PG 2 - Isopropanol
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 14965-49-2(Hazardous Substances Data)

14965-49-2 Usage

Specifications

▼▲ Chemical formula CH6IN Synonyms Methylamine hydroiodide CAS No. 14965-49-2 Chemical name Methylammonium iodide Physical appearance White, crystalline solid Purification method Recrystallisation (ethanol) Purity >99.9% (as measured by elemental analysis) Molecular weight 158.97 g/mol Recommended solvents for perovskite synthesis DMF, DMSO

Applications

Methylammonium iodide (MAI), also referred to as methylamine hydroiodide, is a precursor for the synthesis of organic-inorganic hybrid perovskites for use in FETs, LEDs and PVs. Due to the high purity of the methylammonium iodide (99.99%), it should be noted that its solubility is reduced within dimethyl formamide and dimethyl sulfoxide. This reduced solubility is due to the removal of trace amounts of residual hydroiodic acid (HI) used during the synthesis and purification of the material. This can potentially have an impact upon the performance of solar cells leading to a reduction in maximum power conversion efficiency achievable. Adding fixed concentrations of hydroiodic acid to perovskite solutions can allow for the improvement of device metrics. Using high-purity precursor materials allows for accurate addition of amounts of hydroiodic acid giving higher reproducibility to experiments. It is recommended that between 1% and 10% hydroiodic acid is used with high-purity methylammonium iodide to achieve optimal device performance. The amount required depends on the precursors used, solution concentration, solvent used, and processing environment. Therefore, this will need to be adjusted for each individual laboratory and process.

Application

For simpler ink fabrication, it is recommended that the lower-purity methylammonium iodide (>98%) is used.

Uses

Different sources of media describe the Uses of 14965-49-2 differently. You can refer to the following data:
1. Methylammonium iodide can be used as a precursor in combination with lead iodide to change the morphology of the resulting perovskite materials. Perovskite materials can further be utilized in the fabrication of alternative energy devices such as light emitting diodes (LEDs), and perovskite solar cells (PSCs).
2. Organohalide based perovskites have emerged as an important class of material for solar cell applications. Our perovskites precursors with extremely low water contents are useful for synthesizing mixed cation or anion perovskites needed for the optimization of the band gap, carrier diffusion length and power conversion efficiency of perovskites based solar cells.
3. The iodide and bromide based alkylated halides find applications as precursors for fabrication of perovskites for photovoltaic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 14965-49-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,9,6 and 5 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 14965-49:
(7*1)+(6*4)+(5*9)+(4*6)+(3*5)+(2*4)+(1*9)=132
132 % 10 = 2
So 14965-49-2 is a valid CAS Registry Number.
InChI:InChI=1/CH5N.HI/c1-2;/h2H2,1H3;1H

14965-49-2 Well-known Company Product Price

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  • Aldrich

  • (793493)  Methylammonium iodide Green Alternative  98%

  • 14965-49-2

  • 793493-5G

  • 2,034.63CNY

  • Detail
  • Aldrich

  • (806390)  Methylammonium iodide  

  • 14965-49-2

  • 806390-25G

  • 6,101.55CNY

  • Detail

14965-49-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name methylazanium,iodide

1.2 Other means of identification

Product number -
Other names Methylammonium iodide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:14965-49-2 SDS

14965-49-2Synthetic route

methylamine
74-89-5

methylamine

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
With hydrogen iodide In methanol; water at 0℃; for 2h;97%
With hydrogen iodide; phosphorous acid In ethanol; water at 0℃;89%
With hydrogen iodide In ethanol; water at 0℃; for 1h;87%
triethylsilane
617-86-7

triethylsilane

nitromethane
75-52-5

nitromethane

trimethylsilyl iodide
16029-98-4

trimethylsilyl iodide

A

triethylsilyl iodide
1112-49-8

triethylsilyl iodide

B

Hexamethyldisiloxane
107-46-0

Hexamethyldisiloxane

C

1,1,1-triethyl-3,3,3-trimethyl-disiloxane
2652-41-7

1,1,1-triethyl-3,3,3-trimethyl-disiloxane

D

hexaethyl disiloxane
994-49-0

hexaethyl disiloxane

E

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
Product distribution; Mechanism; 2 h at -5 deg C, then 5 h at 30 deg C;A n/a
B n/a
C n/a
D n/a
E 80%
methanol
67-56-1

methanol

6-methyl-[1,3,5]triazinane-2,4-dione
89124-98-1

6-methyl-[1,3,5]triazinane-2,4-dione

methyl iodide
74-88-4

methyl iodide

A

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

B

methylammonium carbonate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

C

ammonium iodide

ammonium iodide

Conditions
ConditionsYield
at 120 - 130℃;
4(NH3CH3)(1+)*Pt3I11(4-) = (NH3CH3)4Pt3I11

4(NH3CH3)(1+)*Pt3I11(4-) = (NH3CH3)4Pt3I11

(NH3CH3)2PtI6, high temperature, cubic

(NH3CH3)2PtI6, high temperature, cubic

B

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

C

platinum
7440-06-4

platinum

Conditions
ConditionsYield
In neat (no solvent) decomp. (207°C); thermal analysis; X-ray diffraction;
hydrogen iodide
10034-85-2

hydrogen iodide

methylamine
74-89-5

methylamine

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
In methanol; water at 0℃; for 2h;
In water at 0℃; for 4h;
In ethanol; water at 20℃; for 2h;
In water
methyl iodide
74-88-4

methyl iodide

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
With hydrogen iodide In ethanol; water at 50℃; for 24h;
formaldehyd
50-00-0

formaldehyd

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
With ammonium iodide at 120 - 210℃;
methylamine hydrochloride
593-51-1

methylamine hydrochloride

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
With hydrogen iodide In ethanol; water at 0℃; for 2h;
With hydrogen iodide In ethanol at 50℃; for 0.0833333h;
methanol
67-56-1

methanol

methylamine
74-89-5

methylamine

A

isopropyl ammonium ion
16999-98-7

isopropyl ammonium ion

B

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
With hydrogen iodide In water at 0℃; for 2h;
methanol
67-56-1

methanol

methylamine
74-89-5

methylamine

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

Conditions
ConditionsYield
With hydrogen iodide In water
quartz

quartz

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

lead(II) iodide

lead(II) iodide

Reaxys ID: 28470673

Reaxys ID: 28470673

Conditions
ConditionsYield
In dichloromethane; N,N-dimethyl-formamide100%
sulfolane
126-33-0

sulfolane

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

lead(II) iodide

lead(II) iodide

CH6N(1+)*Pb(2+)*3I(1-)*C4H8O2S

CH6N(1+)*Pb(2+)*3I(1-)*C4H8O2S

Conditions
ConditionsYield
at 80℃; for 0.5h;97%
1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
7226-23-5

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

lead(II) iodide

lead(II) iodide

CH6N(1+)*Pb(2+)*3I(1-)*2C6H12N2O

CH6N(1+)*Pb(2+)*3I(1-)*2C6H12N2O

Conditions
ConditionsYield
at 80℃; for 0.5h;96%
CYANAMID
420-04-2

CYANAMID

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

lead(II) iodide

lead(II) iodide

3(NH2CINH2)(1+)*PbI5(3-)=(NH2CINH2)3(PbI5)

3(NH2CINH2)(1+)*PbI5(3-)=(NH2CINH2)3(PbI5)

Conditions
ConditionsYield
In water (Ar); dwelling (-10°C, 10 h);95%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

lead(II) iodide

lead(II) iodide

CH5N*H(1+)*C3H7NO*PbI3(1-)

CH5N*H(1+)*C3H7NO*PbI3(1-)

Conditions
ConditionsYield
at 70℃; Glovebox; Inert atmosphere;94%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

lead(II) iodide

lead(II) iodide

methylammonium triiodoplumbate(II)
69507-98-8

methylammonium triiodoplumbate(II)

Conditions
ConditionsYield
In N,N-dimethyl-formamide under N2; stoich. amts.; soln. of alkylammonium salt and Pb salt in DMF at room temp.; soln. poured into nitromethane;90%
In neat (no solvent) simultaneous deposition of MeNH3I and PbI2 on quartz substrate;
In further solvent(s) in γ-butyrolactone; obtained as a film on TiO2;
tin(II) iodide

tin(II) iodide

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

CH3NH3(1+)*SnI3(1-)=(CH3NH3)(SnI3)
67908-87-6

CH3NH3(1+)*SnI3(1-)=(CH3NH3)(SnI3)

Conditions
ConditionsYield
With HI In further solvent(s) solns. of SnI2 and org. compd. in aq. HI heated gently to 90.0°C(water/ethylene glycol bath); warm solns. mixed, pptn. on cooling to room temp.; filtration under N2 flow, ppt. dried (100°C, 5 h, Ar flow);67%
In neat (no solvent, solid phase) at 200°C, solid state reaction, for several days;
In ethanol slow cooling (from 65 to 5°C) soln. SnI2 and MeNH3I (1:1) in EtOH;
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hexylammonium iodide
54285-91-5

hexylammonium iodide

lead(II) iodide

lead(II) iodide

[(hexylammonium)2(methylammonium)Pb2I7]

[(hexylammonium)2(methylammonium)Pb2I7]

Conditions
ConditionsYield
In N,N-dimethyl-formamide under N2; stoich. amts.; alkylammonium salts dissolved in DMF at 35°C, Pb salt added, soln. stirred for 1 h; soln. poured into nitromethane, ppt. sepd. by centrifugation;60%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hexylammonium iodide
54285-91-5

hexylammonium iodide

lead(II) iodide

lead(II) iodide

[(hexylammonium)2(methylammonium)2Pb3I10]

[(hexylammonium)2(methylammonium)2Pb3I10]

Conditions
ConditionsYield
In N,N-dimethyl-formamide under N2; alkylammonium salts dissolved in DMF at 35°C, Pb salt added; ratio of C6H13NH3I:CH3NH3I:PbI2 = 2:3:3; soln. poured into nitromethane, ppt. sepd. by centrifugation;60%
2-Aminomethylthiophene
27757-85-3

2-Aminomethylthiophene

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

lead(II) iodide

lead(II) iodide

[(TMA)2(MA)2Pb3I10]

[(TMA)2(MA)2Pb3I10]

Conditions
ConditionsYield
Stage #1: methylamine hydroiodide; lead(II) iodide With hydrogen iodide; hypophosphorous acid In water at 0.9℃; for 0h;
Stage #2: 2-Aminomethylthiophene With hydrogen iodide In water at 80℃; for 0.5h;
60%
4-CH3C6H4CH2NH3I
289716-73-0

4-CH3C6H4CH2NH3I

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

(CH3NH3)(4-CH3C6H4CH2)2Pb2I7

(CH3NH3)(4-CH3C6H4CH2)2Pb2I7

Conditions
ConditionsYield
With H3PO2 In water 57 % aq. HI, heating at reflux temp.; soln. was cooled to ca. 20 °C, crystals were filtered, dried in air, elem. anal.;56%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) acetate trihydrate
6080-56-4

lead(II) acetate trihydrate

thiourea
17356-08-0

thiourea

3CH4N2S*Pb(2+)*5I(1-)*3H(1+)

3CH4N2S*Pb(2+)*5I(1-)*3H(1+)

Conditions
ConditionsYield
In water at 40 - 60℃; for 20h; Sealed tube;54%
hydrazine dihydrochloride

hydrazine dihydrochloride

dihydrogen hexachloroplatinate(IV) hexahydrate

dihydrogen hexachloroplatinate(IV) hexahydrate

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

(NH3CH3)2PtI6, high temperature, cubic

(NH3CH3)2PtI6, high temperature, cubic

B

4(NH3CH3)(1+)*Pt3I11(4-) = (NH3CH3)4Pt3I11

4(NH3CH3)(1+)*Pt3I11(4-) = (NH3CH3)4Pt3I11

Conditions
ConditionsYield
In water addn. of N2H4*2HCl to soln. of Pt-compd. in H2O, heating (60°C), cooling, addn. of org. compd. in H2O; addn. of EtOH, filtn., crystn. on standing (room temp., P4O10); elem. anal.;A n/a
B 50%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) acetate trihydrate
6080-56-4

lead(II) acetate trihydrate

thiourea
17356-08-0

thiourea

3CH4N2S*2CH5N*5H(1+)*Pb2I9(5-)

3CH4N2S*2CH5N*5H(1+)*Pb2I9(5-)

Conditions
ConditionsYield
In water at 40 - 60℃; for 20h; Sealed tube;47%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) acetate trihydrate
6080-56-4

lead(II) acetate trihydrate

thiourea
17356-08-0

thiourea

3CH5N*4CH4N2S*7H(1+)*Pb3I13(7-)

3CH5N*4CH4N2S*7H(1+)*Pb3I13(7-)

Conditions
ConditionsYield
In water at 40 - 60℃; for 20h; Sealed tube;42%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

4-Aminomethylpiperidine
7144-05-0

4-Aminomethylpiperidine

((4-aminomethyl)piperidinium)(methylammonium)Pb2I7

((4-aminomethyl)piperidinium)(methylammonium)Pb2I7

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃; for 0.0833333 - 0.166667h;
Stage #2: methylamine hydroiodide; 4-Aminomethylpiperidine In water at 240℃; for 0.0833333h;
31.5%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

4-Aminomethylpiperidine
7144-05-0

4-Aminomethylpiperidine

((4-aminomethyl)piperidinium)(methylammonium)2Pb3I10

((4-aminomethyl)piperidinium)(methylammonium)2Pb3I10

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃; for 0.0833333 - 0.166667h;
Stage #2: methylamine hydroiodide; 4-Aminomethylpiperidine In water at 240℃; for 0.0833333h;
25.6%
3-Aminomethylpiperidine
23099-21-0

3-Aminomethylpiperidine

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

((3-aminomethyl)piperidinium)(methylammonium)Pb2I7

((3-aminomethyl)piperidinium)(methylammonium)Pb2I7

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃; for 0.0833333 - 0.166667h;
Stage #2: 3-Aminomethylpiperidine; methylamine hydroiodide In water at 240℃; for 0.0833333h;
22.4%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

4-Aminomethylpiperidine
7144-05-0

4-Aminomethylpiperidine

((4-aminomethyl)piperidinium)(methylammonium)3Pb4I13

((4-aminomethyl)piperidinium)(methylammonium)3Pb4I13

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃; for 0.0833333 - 0.166667h;
Stage #2: methylamine hydroiodide; 4-Aminomethylpiperidine In water at 240℃; for 0.0833333h;
17.7%
3-Aminomethylpiperidine
23099-21-0

3-Aminomethylpiperidine

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

((3-aminomethyl)piperidinium)(methylammonium)2Pb3I10

((3-aminomethyl)piperidinium)(methylammonium)2Pb3I10

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃; for 0.0833333 - 0.166667h;
Stage #2: 3-Aminomethylpiperidine; methylamine hydroiodide In water at 240℃; for 0.0833333h;
12.2%
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

4-Aminomethylpiperidine
7144-05-0

4-Aminomethylpiperidine

C6H16N2(2+)*6CH6N(1+)*Pb7I22(8-)

C6H16N2(2+)*6CH6N(1+)*Pb7I22(8-)

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃;
Stage #2: methylamine hydroiodide; 4-Aminomethylpiperidine With hydrogen iodide In water for 0.0833333h; Heating;
12%
3-Aminomethylpiperidine
23099-21-0

3-Aminomethylpiperidine

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

hydrogen iodide
10034-85-2

hydrogen iodide

lead(II) oxide

lead(II) oxide

((3-aminomethyl)piperidinium)(methylammonium)3Pb4I13

((3-aminomethyl)piperidinium)(methylammonium)3Pb4I13

Conditions
ConditionsYield
Stage #1: hydrogen iodide; lead(II) oxide With hypophosphorous acid In water at 130℃; for 0.0833333 - 0.166667h;
Stage #2: 3-Aminomethylpiperidine; methylamine hydroiodide In water at 240℃; for 0.0833333h;
11.2%
1,2-Diiodoethane
624-73-7

1,2-Diiodoethane

methylamine hydroiodide
14965-49-2

methylamine hydroiodide

methylamine; triiodide

methylamine; triiodide

Conditions
ConditionsYield
With ethanol at 50 - 60℃;
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

isopropylidene-methyl-amine; (isopropylidene-methyl-ammonium)-disilver-triiodide

isopropylidene-methyl-amine; (isopropylidene-methyl-ammonium)-disilver-triiodide

Conditions
ConditionsYield
With acetone; silver(I) iodide
methylamine hydroiodide
14965-49-2

methylamine hydroiodide

CH5IN

CH5IN

Conditions
ConditionsYield
at -196.1℃; Irradiation;

14965-49-2Related news

methylammonium iodide (cas 14965-49-2) and its effect as an intrinsic defect in perovskite structure and device performance07/16/2019

Organo-metal halides are the new generation of functional materials formed on a perovskite framework, ABX3. Despite the high throughput of these semiconductors, they are prone to long-term degradation. A degradation process that is still far from understood. This might be attributed to the compl...detailed

14965-49-2Relevant articles and documents

3,4-Phenylenedioxythiophene (PheDOT) Based Hole-Transporting Materials for Perovskite Solar Cells

Chen, Jian,Chen, Bai-Xue,Zhang, Fang-Shuai,Yu, Hui-Juan,Ma, Shuang,Kuang, Dai-Bin,Shao, Guang,Su, Cheng-Yong

, p. 1043 - 1049 (2016)

Two new electron-rich molecules based on 3,4-phenylenedioxythiophene (PheDOT) were synthesized and successfully adopted as hole-transporting materials (HTMs) in perovskite solar cells (PSCs). X-ray diffraction, absorption spectra, photoluminescence spectra, electrochemical properties, thermal stabilities, hole mobilities, conductivities, and photovoltaic parameters of PSCs based on these two HTMs were compared with each other. By introducing methoxy substituents into the main skeleton, the energy levels of PheDOT-core HTM were tuned to match with the perovskite, and its hole mobility was also improved (1.33×10-4 cm2 V-1 s-1, being higher than that of spiro-OMeTAD, 2.34×10-5 cm2 V-1 s-1). The PSC based on MeO-PheDOT as HTM exhibits a short-circuit current density (Jsc) of 18.31 mA cm-2, an open-circuit potential (Voc) of 0.914 V, and a fill factor (FF) of 0.636, yielding an encouraging power conversion efficiency (PCE) of 10.64 % under AM 1.5G illumination. These results give some insight into how the molecular structures of HTMs affect their performances and pave the way for developing high-efficiency and low-cost HTMs for PSCs.

Highly stable and Pb-free bismuth-based perovskites for photodetector applications

Bhorde, Ajinkya,Nair, Shruthi,Borate, Haribhau,Pandharkar, Subhash,Aher, Rahul,Punde, Ashvini,Waghmare, Ashish,Shinde, Pratibha,Vairale, Priti,Waykar, Ravindra,Doiphode, Vidya,Jadkar, Vijaya,Hase, Yogesh,Rondiya, Sachin,Patil, Nilesh,Prasad, Mohit,Jadkar, Sandesh

, p. 11282 - 11290 (2020)

Herein, we report the synthesis of highly stable, Pb-free bismuth iodide (BiI3 or BI), stoichiometric methylammonium bismuth iodide [(CH3NH3)3Bi2I9 or MA3Bi2I9 or s-MBI] and non-stoichiometric methylammonium bismuth iodide [(CH3NH3)2BiI5 or MA2BiI5 or Ns-MBI] perovskite thin films for photodetector applications. These films are synthesized at room temperature by a single step solution process spin coating method. The structural, optical, and morphological properties of these films were investigated using different characterization techniques such as XRD, Raman spectroscopy, FE-SEM, UV-Visible spectroscopy, etc. Formation of BI, s-MBI and Ns-MBI thin films is confirmed by XRD and Raman spectroscopy measurements. XRD analysis reveals that BI has a hexagonal crystal structure and a P63/mmc hexagonal space group for s-MBI and Ns-MBI. The optical properties of BI thin films show a high absorption coefficient (~104 cm-1) and a band gap of ~1.74 eV. Similarly, s-MBI films have a high absorption coefficient (~103 cm-1) and an indirect band gap of ~1.8 eV. Moving from s-MBI to Ns-MBI, the value of absorption coefficient is ~103 cm-1 and the band gap corresponds to ~2 eV. Finally, photodetectors based on the synthesized BI, s-MBI and Ns-MBI perovskites have been directly fabricated on FTO substrates. All photodetectors exhibited highly stable photo-switching behaviour along with excellent photoresponsivity and detectivity, with a fast response and recovery time. Our work demonstrates that Pb-free BI, s-MBI and Ns-MBI perovskites have great potential in the future for realizing stable photodetectors.

Surface Photovoltage Spectroscopy Study of Ultrasonically Sprayed-Aerosol CH3NH3PbI3 Perovskite Crystals

Henjongchom, Nakorn,Rujisamphan, Nopporn,Tang, I-Ming,Supasai, Thidarat

, (2018)

A simple deposition process for preparing crystalline semiconductors with low degrees of disorder is of paramount interest for both device applications and research investigations. This study centers on the ultrasonically sprayed-aerosol based approach for preparing crystals of methylammonium lead trihalide perovskite (CH3NH3PbI3). The surface photovoltage (SPV) spectra are found to depend strongly on the preparation conditions, with the SPV signals (below the material's band gap) providing information on the defect states. The measured values of tail states near the band gap (Et) are found to be about 21 and 52 meV for the CH3NH3PbI3 crystals prepared by the ultrasonically sprayed-on and spun casting approaches, respectively.

The role of chlorine in the formation process of CH3NH3PbI3-xClx perovskite

Yu, Hui,Wang, Feng,Xie, Fangyan,Li, Wenwu,Chen, Jian,Zhao, Ni

, p. 7102 - 7108 (2014)

CH3NH3PbI3-xClx is a commonly used chemical formula to represent the methylammonium lead halide perovskite fabricated from mixed chlorine- and iodine-containing salt precursors. Despite the rapid progress in improving its photovoltaic efficiency, fundamental questions remain regarding the atomic ratio of Cl in the perovskite as well as the reaction mechanism that leads to its formation and crystallization. In this work we investigated these questions through a combination of chemical, morphological, structural and thermal characterizations. The elemental analyses reveal unambiguously the negligible amount of Cl atoms in the CH3NH3PbI3-xClx perovskite. By studying the thermal characteristics of methylammonium halides as well as the annealing process in a polymer/perovskite/FTO glass structure, we show that the formation of the CH3NH3PbI3-xClx perovskite is likely driven by release of gaseous CH3NH3Cl (or other organic chlorides) through an intermediate organometal mixed halide phase. Furthermore, the comparative study on CH3NH3I/PbCl2 and CH3NH3I/PbI2 precursor combinations with different molar ratios suggest that the initial introduction of a CH3NH3+ rich environment is critical to slow down the perovskite formation process and thus improve the growth of the crystal domains during annealing; accordingly, the function of Cl- is to facilitate the release of excess CH3NH3+ at a relatively low annealing temperatures.

Control of Perovskite Crystal Growth by Methylammonium Lead Chloride Templating

Binek, Andreas,Grill, Irene,Huber, Niklas,Peters, Kristina,Hufnagel, Alexander G.,Handloser, Matthias,Docampo, Pablo,Hartschuh, Achim,Bein, Thomas

, p. 1199 - 1204 (2016)

State-of-the-art solar cells based on methylammonium lead iodide (MAPbI3) now reach efficiencies over 20 %. This fast improvement was possible with intensive research in perovskite processing. In particular, chloride-based precursors are known to have a positive influence on the crystallization of the perovskite. Here, we used a combination of in-situ X-ray diffraction and charge-transport measurements to understand the influence of chloride during perovskite crystallization in planar heterojunction solar cells. We show that MAPbCl3 crystallizes directly after the deposition of the starting solution and acts as a template for the formation of MAPbI3. Additionally, we show that the charge-carrier mobility doubles by extending the time for the template formation. Our results give a deeper understanding of the influence of chloride in the synthesis of MAPbI3 and illustrate the importance of carefully controlling crystallization for reproducible, high-efficiency solar cells.

Thermally induced recrystallization of MAPbI3 perovskite under methylamine atmosphere: An approach to fabricating large uniform crystalline grains

Jacobs, Daniel L.,Zang, Ling

, p. 10743 - 10746 (2016)

A liquid to solid phase transition of methylammonium lead triiodide (MAPbI3) under methylamine (MA) atmosphere at elevated temperatures was discovered, and used to form high quality and uniform thin films containing large, low defect crystal grains tens of microns in size.

Exploration of organic-inorganic hybrid perovskites for surface-enhanced infrared spectroscopy of small molecules

Chen, Jia,Mo, Zhi-Hong,Yang, Xiao,Zhou, Hai-Ling,Gao, Qin

, p. 6949 - 6952 (2017)

The organic-inorganic hybrid perovskites efficiently enhance the infrared absorption of small molecules. It is suggested that the quantum wells of perovskites enable the electrons of the perovskites to be excited by light in the infrared region. The exploration has opened a new path for chemical sensing through infrared spectroscopy.

Self-powered, ultraviolet-visible perovskite photodetector based on TiO2 nanorods

Zhou, Hai,Song, Zehao,Tao, Pan,Lei, Hongwei,Gui, Pengbin,Mei, Jun,Wang, Hao,Fang, Guojia

, p. 6205 - 6208 (2016)

A self-powered, ultraviolet-visible perovskite photodetector based on TiO2 nanorods/CH3NH3PbI3 heterojunction was reported. We found that the device showed good photovoltaic properties with a short-circuit current density of 17.83 mA cm-2, an open-circuit voltage of 0.76 V and a fill factor of 51.34%, leading to a PCE of 6.95%. Based on the wide band gap and the perovskite supporting part of the TiO2 nanorods, the device showed good ultraviolet-visible photo-response characteristics with the responsivity at zero bias reaching ~0.26 and 0.85 A W-1 at 364 and 494 nm, respectively. These results present potential applications of TiO2/perovskite photodetectors in ultraviolet and visible regions.

Nanostructured TiO2/CH3NH3PbI3 heterojunction solar cells employing spiro-OMeTAD/Co-complex as hole-transporting material

Noh, Jun Hong,Jeon, Nam Joong,Choi, Yong Chan,Nazeeruddin, Md. K.,Graetzel, Michael,Seok, Sang Il

, p. 11842 - 11847 (2013)

For using 2,2′,7,7′-tetrakis(N,N′-di-p- methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD) as a hole conductor in solar cells, it is necessary to improve its charge-transport properties through electrochemical doping. With the aim of fabricating efficient mesoscopic TiO2/CH3NH3PbI3 heterojunction solar cells, we used tris[2-(1H-pyrazol-1-yl)-4-tert- butylpyridine)cobalt(iii) tris(bis(trifluoromethylsulfonyl) imide)] (FK209) as a p-dopant for spiro-OMeTAD. The mixture of spiro-OMeTAD, FK209, lithium bis(trifluoromethylsulfonyl)imide (Li-TFSI), and 4-tert-butylpyridine (TBP) exhibited significantly higher performance than mixtures of pristine spiro-OMeTAD, spiro-OMeTAD, and FK209, and spiro-OMeTAD, Li-TFSI, and TBP. Such a synergistic effect between the Co-complex and Li-TFSI in conjunction with spiro-OMeTAD effectively improved the power conversion efficiency (PCE) of the fabricated solar cells. As a result, we achieved PCE of 10.4%, measured under standard solar conditions (AM 1.5G, 100 mW cm-2).

Realize larger grain size of CH3NH3PbI3 film with reduced non-radiative recombination for high performance perovskite solar cells via precursor colloidal size engineering

Chen, Xuelian,Jiang, Hao,Li, Guangrong,Li, Yan,Sun, Can,Zhang, Xiaoyong,Zheng, Jialu

, (2021)

In CH3NH3PbI3 perovskite solar cells, enhancement grain size of CH3NH3PbI3 to reduce the non-radiative at grain boundaries is an important way to reach high performance perovskite solar cell. However, it is still a challenge to enhance the grain size of CH3NH3PbI3 through a simple and low cost way. In this work, a larger precursor colloidal size is realized through tuning morphology of precursor CH3NH3I using a polar solvent of ethanol during purification, yielding a larger grain size of CH3NH3PbI3 film, and the as-prepared perovskite solar cells are shown to be dramatically increased to 17.49% with an increase in short circuit density, fill factor and open circuit voltage, as compared to that (14.28%) in the control device with CH3NH3I purified by non-polar solvent of diethyl ether. The investigation result showed the increased efficiency of perovskite solar cells prepared by ethanol purification is ascribed to a faster charge transfer at CH3NH3PbI3/TiO2 interface resulting from the reduced grain boundary defects. Our work provides a route for improving the CH3NH3PbI3 device efficiency through a simple yet effective approach.

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