Results 231 to 240 of about 4,883,559 (264)

Optimized Antimony‐Doped Tin Oxide Thin Films With Enhanced Electrical Properties for Low‐Emissivity Architectural Coatings

Advanced Science, EarlyView.
Antimony‐doped tin oxide (ATO) thin films were deposited by aerosol‐assisted chemical vapor deposition (AACVD) and systematically investigated to establish correlations between Sb doping level, structural properties and optoelectronic performance. Optimized films exhibited low sheet resistance, high carrier concentrations, and high visible transparency
Iqra Ramzan, Ivan P. Parkin, Claire J. Carmalt   +2 more
wiley   +1 more source

Hierarchical crystal structure prediction of zeolitic imidazolate frameworks using DFT and machine-learned interatomic potentials. [PDF]

Chem Sci
Xu Y, Dorrell J, Lisac K, Brekalo I, Darby JP, Morris AJ, Arhangelskis M.   +6 more
europepmc   +1 more source

Modified MXene Aerogel With Broadband Microwave Absorption Inspired by Melanophila Acuminata Beetle

Advanced Science, EarlyView.
This work introduces a novel biomimetic strategy inspired by the infrared‐sensing sensilla of the Melanophila acuminata beetle. We have designed a multi‐level aerogel, featuring a three‐dimensional carbon framework decorated with synergistic CeO2 nanoparticles and Ti3C2Tx MXene nanosheets.
Zhiwei Liu, Dingyu Xu, Zhaobo Liu, Haitian Song, Qianqian Zhang, Junxiao Zhou, Xiewen Wen   +6 more
wiley   +1 more source

DeepMech: a machine learning framework for chemical reaction mechanism prediction. [PDF]

Chem Sci
Das M, Hoque A, Baranwal M, Sunoj RB.
europepmc   +1 more source

Continuous‐Flow Microfluidic Synthesis Enhances C2+ Selectivity for Cu2O Catalysts

Advanced Science, EarlyView.
Microfluidic devices are used to prepare Cu2O nanoparticles under laminar flow conditions, which exhibit enhanced selectivity in the CO2‐to‐C2+ reaction due to their nanoporosity and high defect concentration. Cu2O prepared using standard solution methods displays decreased CO2‐to‐C2+ selectivity due to the absence of similar properties. Altogether, we
Carlota Casas, Anh Tuan Ngo, João Pedro Vale, Ona Falcó, Gerard Martí, Mohamed Amazian, Júlia Mayans, Sònia Estradé, Marcos Gil‐Sepulcre, Teresa Andreu, Francesca Peiró, Tiago Sotto Mayor, Lluís Yedra, Jordi García‐Antón, Josep Puigmartí‐Luis, Xavier Sala, Roc Matheu   +16 more
wiley   +1 more source

Methyl Cation Affinity and Methyl Anion Affinity Prediction Using Uni-Mol-Based Models. [PDF]

J Phys Chem A
Iwasaki Y, Sato A, Miyao T.
europepmc   +1 more source

Geometric Deep Learning-Based Drug Design Models for Small-Molecule Drug Discovery. [PDF]

Mol Inform
Srivastav AK, Modi U, Kumar R, Bhatia D, Solanki R.   +4 more
europepmc   +1 more source

Structural Exploration and Expected values of Topological Indices of Square-Hexagonal <i>T</i> _2,3 Kink Chains for Advanced Engineering Applications. [PDF]

ACS Omega
Kanwal S, Khalil M, Razzaque A.
europepmc   +1 more source

Unveiling the electronic and thermodynamic properties of 2-furaldehyde semicarbazone derivatives: combined DFT and M-polynomial topological indices analysis. [PDF]

Sci Rep
Wazzan S, Safi Z, Wazzan N.
europepmc   +1 more source

Ionic, Directional, and Collective Interaction Regimes in Doped B12 Clusters: An IQA Perspective. [PDF]

Inorg Chem
Guevara-Vela JM, Martín Pendás Á, Rocha-Rinza T.   +2 more
europepmc   +1 more source