Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells
A generative artificial intelligence (AI) framework combining a discriminative machine learning model (SMILES‐X) and a generative language model (GPT‐2) autonomously discovers new molecular passivators for perovskite solar cells (PSCs). Through an iterative design loop, over 100 000 candidates are generated and screened, and randomly selected molecules
Adroit T. N. Fajar +7 more
wiley +1 more source
Scalable and Healable Gradient Textiles for Multi-Scenario Radiative Cooling via Bicomponent Blow Spinning. [PDF]
Ji B +8 more
europepmc +1 more source
A real‐time, non‐contact photoplethysmography (PPG) system based on InAs colloidal quantum dots (CQDs) synthesized via a seedless injection synthesis is demonstrated. The measured oxygen saturation shows considerable agreement with commercial PPG devices.
Beom Kwan Kim +8 more
wiley +1 more source
Predictive modelling of multi-functional properties in XCuSO (X = Nd, Pr) oxychalcogenides <i>via</i> an <i>ab initio</i> approach. [PDF]
Alharbi SAR, Khan MS.
europepmc +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Site-Engineered Corundum-Structured Aesthetic Composites for Alleviating Heat Accumulation to Mitigate Urban Heat Islands. [PDF]
Darshan GP +5 more
europepmc +1 more source
Two model molecules — trimesic acid (TMA) and phloroglucinol (PG) — with opposite central electrostatic potential (ESP) distributions are employed to elucidate how molecular electrostatic interactions regulate the cathode interlayer (CIL) PDINN. Electrostatic potential complementarity is revealed as the intrinsic origin of thickness sensitivity in CILs,
Xiaoman Ding +13 more
wiley +1 more source
Assessment and Optimization of 2T Perovskite/CIGS Tandems via Data-Driven and Optoelectronic Modelling. [PDF]
Giliberti G +5 more
europepmc +1 more source
Programmable hydration pathways enable reconfigurable ionic thermoelectrics in polyquaternium hydrogels. By coupling microscopic solvation, mesoscale water channels, and macroscopic boundary control, hydration‐gated protonics decouples thermopower, response speed, and stability.
Zehao Zhao, Yun Shen, Dongyan Xu
wiley +1 more source
Low-Cost Scalable Radiative Cooling Membrane via Spray Fabrication for Sustainable Thermal Management. [PDF]
Lv L, Hu J, Song R, Xia X, Xia Z, Yu S.
europepmc +1 more source

