scholarly journals Computational Exploration of Two-dimensional (2D) Materials for Solar Energy Applications

Author(s):  
Sri Kasi V Matta
2018 ◽  
Vol 9 ◽  
pp. 1247-1253 ◽  
Author(s):  
Sri Kasi Matta ◽  
Chunmei Zhang ◽  
Yalong Jiao ◽  
Anthony O'Mullane ◽  
Aijun Du

The properties of bulk compounds required to be suitable for photovoltaic applications, such as excellent visible light absorption, favorable exciton formation, and charge separation are equally essential for two-dimensional (2D) materials. Here, we systematically study 2D group IV–V compounds such as SiAs2 and GeAs2 with regard to their structural, electronic and optical properties using density functional theory (DFT), hybrid functional and Bethe–Salpeter equation (BSE) approaches. We find that the exfoliation of single-layer SiAs2 and GeAs2 is highly feasible and in principle could be carried out experimentally by mechanical cleavage due to the dynamic stability of the compounds, which is inferred by analyzing their vibrational normal mode. SiAs2 and GeAs2 monolayers possess a bandgap of 1.91 and 1.64 eV, respectively, which is excellent for sunlight harvesting, while the exciton binding energy is found to be 0.25 and 0.14 eV, respectively. Furthermore, band-gap tuning is also possible by application of tensile strain. Our results highlight a new family of 2D materials with great potential for solar cell applications.


2021 ◽  
Author(s):  
Muhammad Aamir Iqbal ◽  
Maria Malik ◽  
Wajeehah Shahid ◽  
Waqas Ahmad ◽  
Kossi A. A. Min-Dianey ◽  
...  

Plasmonics is a technologically advanced term in condensed matter physics that describes surface plasmon resonance where surface plasmons are collective electron oscillations confined at the dielectric-metal interface and these collective excitations exhibit profound plasmonic properties in conjunction with light interaction. Surface plasmons are based on nanomaterials and their structures; therefore, semiconductors, metals, and two-dimensional (2D) nanomaterials exhibit distinct plasmonic effects due to unique confinements. Recent technical breakthroughs in characterization and material manufacturing of two-dimensional ultra-thin materials have piqued the interest of the materials industry because of their extraordinary plasmonic enhanced characteristics. The 2D plasmonic materials have great potential for photonic and optoelectronic device applications owing to their ultra-thin and strong light-emission characteristics, such as; photovoltaics, transparent electrodes, and photodetectors. Also, the light-driven reactions of 2D plasmonic materials are environmentally benign and climate-friendly for future energy generations which makes them extremely appealing for energy applications. This chapter is aimed to cover recent advances in plasmonic 2D materials (graphene, graphene oxides, hexagonal boron nitride, pnictogens, MXenes, metal oxides, and non-metals) as well as their potential for applied applications, and is divided into several sections to elaborate recent theoretical and experimental developments along with potential in photonics and energy storage industries.


Author(s):  
Zongxiao Wu ◽  
Junlei Qi ◽  
Wenbin Wang ◽  
Zhiyuan Zeng ◽  
Qiyuan He

Elemental two-dimensional (2D) materials possess distinct properties and superior performances across a multitude of fundamental and practical research fields. Although a tremendous number of earlier studies focus on graphene and...


Author(s):  
B. Khadambari ◽  
S. S. Bhattacharya

Solar has become one of the fastest growing renewable energy sources. With the push towards sustainability it is an excellent solution to resolve the issue of our diminishing finite resources. Alternative photovoltaic systems are of much importance to utilize solar energy efficiently. The Cu-chalcopyrite compounds CuInS2 and CuInSe2 and their alloys provide absorber material of high absorption coefficients of the order of 105 cm-1. Cu2ZnSnS4 (CZTS) is more promising material for photovoltaic applications as Zn and Sn are abundant materials of earth’s crust. Further, the preparation of CZTS-ink facilitates the production of flexible solar cells. The device can be designed with Al doped ZnO as the front contact, n-type window layer (e.g. intrinsic ZnO); an n-type thin film buffer layer (e.g. CdS) and a p-type CZTS absorber layer with Molybdenum (Mo) substrate as back contact. In this study, CZTS films were synthesized by a non-vaccum solvent based process technique from a molecular-ink using a non toxic eco-friendly solvent dimethyl sulfoxide (DMSO). The deposited CZTS films were optimized and characterized by XRD, UV-visible spectroscopy and SEM.


2017 ◽  
Author(s):  
Varun Bheemireddy

The two-dimensional(2D) materials are highly promising candidates to realise elegant and e cient transistor. In the present letter, we conjecture a novel co-planar metal-insulator-semiconductor(MIS) device(capacitor) completely based on lateral 2D materials architecture and perform numerical study of the capacitor with a particular emphasis on its di erences with the conventional 3D MIS electrostatics. The space-charge density features a long charge-tail extending into the bulk of the semiconductor as opposed to the rapid decay in 3D capacitor. Equivalently, total space-charge and semiconductor capacitance densities are atleast an order of magnitude more in 2D semiconductor. In contrast to the bulk capacitor, expansion of maximum depletion width in 2D semiconductor is observed with increasing doping concentration due to lower electrostatic screening. The heuristic approach of performance analysis(2D vs 3D) for digital-logic transistor suggest higher ON-OFF current ratio in the long-channel limit even without third dimension and considerable room to maximise the performance of short-channel transistor. The present results could potentially trigger the exploration of new family of co-planar at transistors that could play a signi significant role in the future low-power and/or high performance electronics.<br>


2021 ◽  
Vol 16 ◽  
Author(s):  
Joice Sophia Ponraj ◽  
Muniraj Vignesh Narayanan ◽  
Ranjith Kumar Dharman ◽  
Valanarasu Santiyagu ◽  
Ramalingam Gopal ◽  
...  

: Increasing energy crisis across the globe requires immediate solutions. Two-dimensional (2D) materials are in great significance because of its application in energy storage and conversion devices but the production process significantly impacts the environment thereby posing a severe problem in the field of pollution control. Green synthesis method provides an eminent way of reduction in pollutants. This article reviews the importance of green synthesis in the energy application sector. The focus of 2D materials like graphene, MoS2, VS2 in energy storage and conversion devices are emphasized based on supporting recent reports. The emerging Li-ion batteries are widely reviewed along with their promising alternatives like Zn, Na, Mg batteries and are featured in detail. The impact of green methods in the energy application field are outlined. Moreover, future outlook in the energy sector is envisioned by proposing an increase in 2D elemental materials research.


Author(s):  
Xiaoqiu Guo ◽  
Ruixin Yu ◽  
Jingwen Jiang ◽  
Zhuang Ma ◽  
Xiuwen Zhang

Topological insulation is widely predicted in two-dimensional (2D) materials realized by epitaxial growth or van der Waals (vdW) exfoliation. Such 2D topological insulators (TI’s) host many interesting physical properties such...


Author(s):  
Sai Manoj Gali ◽  
David Beljonne

Transition Metal Dichalcogenides (TMDCs) are emerging as promising two-dimensional (2D) materials. Yet, TMDCs are prone to inherent defects such as chalcogen vacancies, which are detrimental to charge transport. Passivation of...


Author(s):  
Chunli Liu ◽  
Yang Bai ◽  
Ji Wang ◽  
Ziming Qiu ◽  
Huan Pang

Two-dimensional (2D) materials with structures having diverse features are promising for application in energy conversion and storage. A stronger layered orientation can guarantee fast charge transfer along the 2D planes...


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