Results 151 to 160 of about 1,445,170 (202)

In silico engineering of graphitic carbon nitride nanostructures through germanium mono-doping and codoping with transition metals (Ni, Pd, Pt) as sensors for diazinon organophosphorus pesticide pollutants. [PDF]

BMC Chem
Otoh EF, Odey MO, Martin OI, Agurokpon DC.   +3 more
europepmc   +1 more source

Solution‐Processable and Ambient‐Stable Highly Conductive p‐Type Polymers Derived from Dihydropyrazine and Ethylenedioxythiophene

Advanced Functional Materials, EarlyView.
This work presents π–conjugated polymers based on dihydropyrazine (DHP) and ethylenedioxythiophene (EDOT), developed to produce highly conductive, flexible films for printed electronics. By optimizing the DHP and EDOT ratio, strong and compact π–π stacking is achieved, resulting in polymer films with conductivities up to 1700 S cm−1 under ambient ...
Sung Jae Jeon, Naixin Zhao, Yi Yuan, Yuning Li   +3 more
wiley   +1 more source

Electrical Impedance Tomography Monitoring of Salt Transportation in Cellulose Hydrogel for Solar‐Driven Evaporative Desalination via Laser Defined Wettability

Advanced Functional Materials, EarlyView.
Solar‐driven evaporation is a promising solution to the global water crisis; however, it faces a significant challenge of salt accumulation during the evaporation process. This study introduces an innovative in situ electrical impedance tomography technique for real‐time monitoring of salt transportation in the evaporator.
Yang Xu, Haosong Zhong, Xupeng Lu, Miao Tang, Siyu Chen, Cuiyun Yang, Yi Chen, Minseong Kim, Yang Liu, Mitch Guijun Li   +9 more
wiley   +1 more source

Intermolecular interaction of Al₈O₁₂ oxymetallic clusters in the detection of atmospheric pollutants: a DFT exploration of CO, CO₂, H₂, N₂, NO, NO₂, O₂, and SO₂, binding mechanisms. [PDF]

RSC Adv
Laraib SR, Liu J, Xia YG, Wu YW, Mohammadi MD, Noor NF, Lu Q.   +6 more
europepmc   +1 more source

f‐p‐d Gradient Orbital Coupling Induced Spin State Enhancement of Atomic Fe Sites for Efficient and Stable Oxygen Reduction Reaction

Advanced Functional Materials, EarlyView.
The f‐p‐d (Eu─O─Fe) gradient orbital coupling induces electron delocalization and the introduced f‐band of Eu shifts the spin state of the Fe center in FePc from low‐spin to intermediate‐spin. This strategy simultaneously enhances oxygen reduction reaction (ORR) activity, reaction kinetics, and stability, resulting in superior ORR performance and ...
Ruiqi Cheng, Xiaoqian He, Min Jiang, Xichen Shao, Wenqi Tang, Biao Ran, Huanxin Li, Chaopeng Fu   +7 more
wiley   +1 more source

Polarizable Water Model with Ab Initio Neural Network Dynamic Charges and Spontaneous Charge Transfer. [PDF]

J Chem Theory Comput
Liang Q, Yang J.
europepmc   +1 more source

Optimizing Angiopep‐2 Density on Polymeric Nanoparticles for Enhanced Blood–Brain Barrier Penetration and Glioblastoma Targeting: Insights From In Vitro and In Vivo Experiments

Advanced Functional Materials, EarlyView.
The Angiopep‐2 peptide density on polymeric nanoparticles significantly impacts blood–brain barrier (BBB) penetration. This study explores this nuanced relationship using various in vitro models and in vivo assays, revealing that dynamic models better predict BBB penetration.
Weisen Zhang, Ahmed Refaat, Haoqin Li, Douer Zhu, Ziqiu Tong, Joseph Anthony Nicolazzo, Bo Peng, Hua Bai, Lars Esser, Nicolas Hans Voelcker   +9 more
wiley   +1 more source

Application of Density Functional Theory to Molecular Engineering of Pharmaceutical Formulations. [PDF]

Int J Mol Sci
Guan H, Sun H, Zhao X.
europepmc   +1 more source

Self‐Poled Halide Perovskite Ruddlesden‐Popper Ferroelectric‐Photovoltaic Semiconductor Thin Films and Their Energy Harvesting Properties

Advanced Functional Materials, EarlyView.
Low‐dimensional halide perovskite thin films, (BA)2(MA)n‐1PbnBr3n+1 (n = 1, 2), exhibit both semiconducting and ferroelectric properties, enabling mechanical and light energy harvesting. Using Cr/Cr₂O₃ or PCBM as barrier layers ensures reproducible ferroelectricity.
Raja Sekhar Muddam, Shaoyang Wang, Nirmal Prashanth Maria Joseph Raj, Qingping Wang, Philip Wijesinghe, Julia Payne, Matthew S. Dyer, Chris Bowen, Lethy Krishnan Jagadamma   +8 more
wiley   +1 more source

Unified Framework for Molecular Response Functions of Different Electronic-Structure Models. [PDF]

J Phys Chem A
Gao B, Ringholm M.
europepmc   +1 more source