Global energy consumption rises each year due to increasing energy demand and population expansion. The main non-renewable energy sources are thermal and hydroelectric power. However, due to increasing consumption rates, these resources are depleting rapidly. Scientists are prioritizing renewable energy technologies like photovoltaic energy, which converts solar radiation into electricity, to meet the demand for abundant energy sources. In recent years, they've developed inorganic, organic, and hybrid photovoltaic systems using diverse techniques to meet various application needs. The most effective organic solar cells are dye-sensitized solar cells (DSSCs), which are inexpensive and easy to use. This review paper emphasizes illustrating the technological significance of the structure of DSSCs, components of DSSC and working mechanism of DSSC, steps towards increasing the efficiency of dyes for DSSC, the effectiveness, and challenges for research and improvement of DSSCs to improve the existing efficiency. The main focus of this paper is to investigate the effect of different molecular configurations of dyes on the efficiency of dye-sensitized solar cells. We have reviewed dyes with various configurations, such as D-π-A, D-π-π-A, D-D-π-A, D-π-A-A, and D-(A-π-A) 2, to show how different donors, pi-spacers, and acceptors affect the photovoltaic characteristics of dye-sensitized solar cells.