Physical Modifications and Algorithmic Predictions behind Further Advancing 2D Water Splitting Photocatalyst: An Overview

Abstract

It is becoming increasingly important to consider physical dimensions in addition to chemical capabilities when designing material for a specific feature. The physical dimensions, optical properties, surface area, and mechanical properties of material all play a role in determining its photochemical capabilities. In 2D materials, the surface area for the photoelectric effect and the long-range conductivity for homogeneous charge distribution in the photochemical reactions are perfectly balanced. A wide range of 2D materials has been investigated to date: low-cost, stable, earth-abundant, and hazard-free. However, photocatalyst efficiency must be improved to meet modern society's growing green energy demand. Photocatalysts are particularly interested in storing solar energy in chemical bonds to provide long-term energy. Researchers from various fields have recently contributed to properly arranging photocatalytic reaction centers in space, tuning the bandgap by modifying physical structures and chemical functionalities, using machine learning protocol, and calculating DFT before preparing catalysts. This review will present the most recent contributions to modifying 2D materials to link the collective effort in developing photocatalysts for water oxidation. Furthermore, in the conclusion section, we will emphasize the ongoing work's perspective, challenges, and dimensions.

To Investigate the Structural, Electronic, and Optical Characteristics of 2D Hetero-atoms Al, N, B-doped-Graphene Composites For Photocatalytic Applications: A DFT Study

“…the oxygen molecule into super-oxide Ȯ2 − radical as equation (16). At a similar moment, OḢ hydroxyl radical produced the holes in the valance level through water splitting molecules as equation (17,18 ). Both superoxide and hydroxyl (unsaturated form) changed the pollutant into CO2 and H2O as equation (19).…”

“…The and B-doped-graphene material and waves (electromagnetic waves). All these characteristics are interlinked with one another, and the complex dielectric function is utilized which is given by [17][18].…”

‘Out of the glovebox’ studies of a multifunctional [Gd3+‐Ho3+‐Dy3+]:CsPbI2.7Br0.3 perovskite semiconductor system for energy applications

“…Such energy produced from sustainable materials is a cleaner and cheaper option, with the ability to substitute conventionally utilized fossil fuel-based energy. [35][36][37][38] In this regard, electro-catalytic performance of different materials has been reported in terms of both algorithmic predictions and synthesis; 39,40 however, Cs-based perovskites have not so far been explored for water splitting. Evaluation of the Cs-based perovskite materials for water splitting encompassing oxygen and hydrogen production is expected to produce sustainable results like other efficient multi-metallic materials.…”

An Overview of Metal‐Organic Framework Based Electrocatalysts: Design and Synthesis for Electrochemical Hydrogen Evolution, Oxygen Evolution, and Carbon Dioxide Reduction Reactions

“…Rising energy demand, limited fossil fuel supply, and growing environmental concerns [1][2][3][4][5][6][7] have prompted researchers to create cutting-edge feasible energy technologies [8] that are more efficient, cost-effective, and produce fewer greenhouse emissions. [9][10][11] Water splitting, [12][13][14][15] rechargeable batteries, and fuel cells are just a few of the technologies that have been thoroughly researched and analysed for better energy generation. [16,17] These technologies encompass essential electrocatalytic processes such as the oxygen evolution reaction (OER), [18][19][20] hydrogen evolution reaction (HER), [21][22][23][24][25] oxygen reduction reaction (ORR), [26][27][28][29] nitrogen reduction reaction (NRR), and carbon dioxide reduction reaction (CO 2 RR).…”

“…With the anticipated significant expansion of sustainable energy technologies in recent years, heterogeneous electrochemical water-splitting systems have been a hot topic for a long time. [13][14][15]45,46] Because no harmful emissions are created during the electrochemical water splitting procedures, it provides highly pure hydrogen (H 2 ) or/and oxygen (O 2 ), these processes are called clean energy technologies. The two primary half-cell processes involved in electrochemical water splitting are the cathodic HER and the anodic OER.…”