scholarly journals Structural, electronic, and optical properties of cubic formamidinium lead iodide perovskite: a first-principles investigation

RSC Advances ◽  
2020 ◽  
Vol 10 (54) ◽  
pp. 32364-32369
Author(s):  
Sanjun Wang ◽  
Wen-bo Xiao ◽  
Fei Wang
Keyword(s):  
Optical Properties ◽  
Charge Carrier ◽  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Detailed Structure ◽  
Lead Iodide ◽  
Theoretical Methods ◽  
Band Splitting

Different theoretical methods, including SOC effects, were used to study the detailed structure, electronic properties, charge-carrier mobility, and SOC-induced Rashba k-dependent band splitting in FAPbI3.

The Unique Carrier Mobility of Monolayer Janus MoSSe Nanoribbons: A First-Principles Study

2021 ◽  
Author(s):  
Wenjin Yin ◽  
Yu Liu ◽  
Bo Wen ◽  
Xi-Bo Li ◽  
Yi-Feng Chai ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Transport Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Semiconductor Materials ◽  
Nanoscale Devices ◽  
First Principles Study ◽  
Determining Factor

Charge-carrier mobility is a determining factor for the transport properties of semiconductor materials, and strongly related to the opto-electronics performance of nanoscale devices. Here, we investigate the electronic properties and...

Widely tunable and anisotropic charge carrier mobility in monolayer tin(ii) selenide using biaxial strain: a first-principles study

2017 ◽  
Vol 5 (5) ◽  
pp. 1247-1254 ◽  
Author(s):  
Mei Zhou ◽  
Xiaobin Chen ◽  
Menglei Li ◽  
Aijun Du
Keyword(s):  
Charge Carrier ◽  
Transport Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Compressive Strain ◽  
Charge Carrier Mobility ◽  
Biaxial Strain ◽  
First Principles Study ◽  
Biaxial Tensile

Our first-principles study demonstrate that biaxial tensile/compressive strain is vital in manipulating transport properties of monolayer SnSe.

scholarly journals The Effect of Structural Dimensionality on Carrier Mobility in Lead-Halide Perovskites

2019 ◽  
Author(s):  
Noor Titan Putri Hartono ◽  
Shijing Sun ◽  
María Gélvez-Rueda ◽  
Polly Pierone ◽  
Matthew Erodici ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Perovskite Solar Cells ◽  
Charge Carrier Mobility ◽  
Lead Iodide ◽  
Optical Pump ◽  
Structural Dimensionality ◽  
Low Dimensional ◽  
Lower Dimensional

<p>Methylammonium lead iodide (MAPI) is a prototypical photo absorber in perovskite solar cells (PSCs), reaching efficiencies above 20%. However, its hygroscopic nature has prompted the quest to find water-resistant alternatives. Recent studies have suggested that mixing MAPI with lower dimensional, bulky-<i>A</i>-site-cation perovskites helps mitigate this environmental instability. On the other hand, low dimensional perovskites suffer from poor device performance, which has been suggested to be due to limited out-of-plane charge carrier mobility resulting from structural dimensionality and large binding energy of the charge carriers. To understand the effects of dimensionality on performance, we systematically mixed MA-based 3D perovskites with larger <i>A</i>-site cation, dimethylammonium, iso-propylammonium, and t-butylammonium lead iodide perovskites. During the shift from MAPI to lower dimensional (LD) PSCs, the efficiency is significantly reduced by 2 orders of magnitude, with short-circuit currents decreasing from above 20 mA/cm<sup>2</sup> to less than 1 mA/cm<sup>2</sup>. In order to explain these decrease in performance, we studied the charge carrier mobilities of these materials using optical-pump/ terahertz-probe, time-resolved microwave photoconductivity, and photoluminescence measurements. The results show that as we add more of the low dimensional perovskites, the mobility decreases by a factor of 20 when it reaches pure LD perovskites. In addition, the photoluminescence decay fitting is slightly slower for the mixed perovskites, suggesting some improvement in the recombination dynamics. These findings indicate that changes in structural dimensionality by mixing<i> A</i>-site cations play an important role in measured charge carrier mobility, and in the performance of perovskite solar cells.</p>

Structures, electronic properties and charge carrier mobility of graphdiyne-like BN nanoribbons

RSC Advances ◽  
2015 ◽  
Vol 5 (12) ◽  
pp. 8965-8973 ◽  
Author(s):  
Yanli Sun ◽  
Hongcun Bai ◽  
Yuanhe Huang
Keyword(s):  
Charge Carrier ◽  
Electronic Properties ◽  
Carrier Mobility ◽  
Charge Carrier Mobility

The structures, stabilities, electronic properties and charge carrier mobility of graphdiyne-like BN nanoribbons are investigated using the SCF-CO method.

scholarly journals The Effect of Structural Dimensionality on Carrier Mobility in Lead-Halide Perovskites

2019 ◽  
Author(s):  
Noor Titan Putri Hartono ◽  
Shijing Sun ◽  
María Gélvez-Rueda ◽  
Polly Pierone ◽  
Matthew Erodici ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Perovskite Solar Cells ◽  
Charge Carrier Mobility ◽  
Lead Iodide ◽  
Optical Pump ◽  
Structural Dimensionality ◽  
Low Dimensional ◽  
Lower Dimensional

<p>Methylammonium lead iodide (MAPI) is a prototypical photo absorber in perovskite solar cells (PSCs), reaching efficiencies above 20%. However, its hygroscopic nature has prompted the quest to find water-resistant alternatives. Recent studies have suggested that mixing MAPI with lower dimensional, bulky-<i>A</i>-site-cation perovskites helps mitigate this environmental instability. On the other hand, low dimensional perovskites suffer from poor device performance, which has been suggested to be due to limited out-of-plane charge carrier mobility resulting from structural dimensionality and large binding energy of the charge carriers. To understand the effects of dimensionality on performance, we systematically mixed MA-based 3D perovskites with larger <i>A</i>-site cation, dimethylammonium, iso-propylammonium, and t-butylammonium lead iodide perovskites. During the shift from MAPI to lower dimensional (LD) PSCs, the efficiency is significantly reduced by 2 orders of magnitude, with short-circuit currents decreasing from above 20 mA/cm<sup>2</sup> to less than 1 mA/cm<sup>2</sup>. In order to explain these decrease in performance, we studied the charge carrier mobilities of these materials using optical-pump/ terahertz-probe, time-resolved microwave photoconductivity, and photoluminescence measurements. The results show that as we add more of the low dimensional perovskites, the mobility decreases by a factor of 20 when it reaches pure LD perovskites. In addition, the photoluminescence decay fitting is slightly slower for the mixed perovskites, suggesting some improvement in the recombination dynamics. These findings indicate that changes in structural dimensionality by mixing<i> A</i>-site cations play an important role in measured charge carrier mobility, and in the performance of perovskite solar cells.</p>

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