Results 261 to 270 of about 284,989 (340)

Non‐Equilibrium Synthesis Methods to Create Metastable and High‐Entropy Nanomaterials

Advanced Science, EarlyView.
ABSTRACT Stabilizing multiple elements within a single phase enables the creation of advanced materials with exceptional properties arising from their complex composition. However, under equilibrium conditions, the Hume–Rothery rules impose strict limitations on solid‐state miscibility, restricting combinations of elements with mismatched crystal ...
Shuo Liu, Chaochao Dun, Jeffrey J. Urban, Mark T. Swihart   +3 more
wiley   +1 more source

Prediction of Standard Combustion Enthalpy of Organic Compounds Combining Machine Learning and Chemical Graph Theory: A Strategy. [PDF]

ACS Omega
Saviñon-Flores F, Arzola-Flores JA, García-Castro MA, Díaz-Sánchez F, Vidal Robles E, Maruri Valderrabano FA.   +5 more
europepmc   +1 more source

Lattice Carbon‐Mediated Ultralow‐Barrier C–C Coupling for Selective CO Electroreduction to Ethylene

Advanced Science, EarlyView.
Combined DFT and molecular dynamics simulations reveal that while the lattice carbon at the MXene edge cannot directly bind CO2 to form ethylene, it acts as an active center to promote C─C coupling between adjacent *CO intermediates for ethylene production.
Jiangke Tao, Zhichao Yu, Lulu Chen, Weng Fai Ip, Sen Lin, Hui Pan   +5 more
wiley   +1 more source

Enhanced UV resistance of polypropylene via copper nanoparticle incorporation for outdoor applications. [PDF]

Sci Rep
Baafif M, Abdo HS, Albedah A.
europepmc   +1 more source

Photon‐to‐Heat Energy Harvesting Fluorescent Protein Coatings for Thermoelectrics

Advanced Science, EarlyView.
Fluorescent proteins (FPs) are used in light‐absorbing coatings on thermoelectric generators (TEGs) to convert light into heat and generate electricity. By tuning the properties of FP‐doped polymer matrices, photothermal efficiencies of up to 48% have been achieved.
Anna Zieleniewska, Sriram Kunchapudi, Stephanie Willeit, Rubén D. Costa   +3 more
wiley   +1 more source

ChemGraph as an agentic framework for computational chemistry workflows. [PDF]

Commun Chem
Pham TD, Tanikanti A, Keçeli M.
europepmc   +1 more source

A Yolk@Shell Photothermal Structure for Integrated Solar‐Driven Undrinkable Water Purification and Thermoelectric Power Generation

Advanced Science, EarlyView.
A yolk@shell structured photothermal evaporator was prepared via simple sol‐gel and spray coating methods. By taking advantage of the unique yolk@shell structure, the position of the TE module within the evaporator can be optimized without affects its water evaporation performance. This results in efficient and stable evaporation (3.08‐3.17 kg m−2 h−1)‐
Minrui Zhan, Xiang Fu, Yumei He, Manman Zhao, Xi Zhang, Rong Liu, Haonan Yang, Ming Yang, Huiyu Yang, Pei Lyu, Jiehao Du, Shaojin Gu, Xin Liu, Bin Shang   +13 more
wiley   +1 more source

The Influence of Miscibility of Some PLA-Based Bio-Hybrids Designed for 3D Printing and Medium-Life Applications on Their Physical Aging and Thermodynamic Stability. [PDF]

Polymers (Basel)
Dimonie D, Mathe S, Trușcă RD, Damian CM, Râpă M, Dima ȘO, Dumitru Ș, Oancea F.   +7 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

An innovative paradigm of composition optimization for nickel-based single-crystal superalloys. [PDF]

Natl Sci Rev
Liu L.
europepmc   +1 more source