{In the|Within the|Inside the} fabrication of organic solar cells, there has been a {need|require|want|need to have|will need|have to have} for {materials|supplies|components} with {high|higher} {power|energy} conversion efficiencies (PCE). Scharber’s model is {commonly|generally|typically|frequently|normally|usually} {used|utilized|employed|utilised|applied|made use of} to predict efficiency, {however|nevertheless|nonetheless|even so|on the other hand|having said that} it exhibits poor {performance|overall performance|efficiency|functionality} with new non-fullerene acceptor (NFA) devices (RMSE=2.53%). {In this|Within this} {work|function|perform|operate}, an empirical model is proposed {that can be|that may be} a {more|much more|a lot more|far more|additional|extra} {accurate|correct|precise} {alternative|option} for NFA organic solar cells. {Additionally|In addition|Furthermore|Moreover|Also|On top of that}, {many|numerous|several|a lot of|quite a few|lots of} screening {studies|research} use computationally {expensive|costly|pricey|high-priced|high priced|highly-priced} {methods|techniques|strategies|approaches|procedures|solutions}. A model {based on|according to|depending on|determined by} {using|utilizing|making use of|employing|working with|applying} the semi-empirical simplified time-dependent density functional theory (sTD-DFT) as an {alternative|option} {method|technique|approach|strategy|system|process} can accelerate the calculations and yields {similar|comparable|equivalent|related} accuracy. The models presented {in this|within this} paper, {referred to as|known as} Organic Photovoltaic Efficiency Predictor (OPEP) models, have shown {significantly|considerably|substantially|drastically} {lower|reduce|reduced|decrease} errors than {previous|prior|earlier|preceding} models, with OPEP/B3LYP yielding errors of 1.53% and OPEP/sTD-DFT of 1.55%. The proposed computational models {can be|may be|could be|might be|is often|is usually} utilized for {fast|quick|quickly|rapidly|rapid|speedy} and {accurate|correct|precise} screening of new high-efficiency NFAs and donor polymer pairs. 1416990-09-4 manufacturer 76271-74-4 site PMID:34856019
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