Results 131 to 140 of about 190,996 (323)

Ab Initio Study of Phase Stability in Doped TiO2

, 2012
Ab-initio density functional theory (DFT) calculations of the relative stability of anatase and rutile polymorphs of TiO2 were carried using all-electron atomic orbitals methods with local density approximation (LDA).
Assadi, Mohammed H. N., Hanaor, Dorian A. H., Li, Sean, Sorrell, Charles C., Yu, Aibing   +4 more
core   +1 more source

Prompt Engineering Accelerates the Data‐Driven Discovery of Photocatalysts via an LLM‐Based Model Ensemble Strategy

Advanced Science, EarlyView.
This work establishes a pipeline that transforms fragmented literature into a structured database for graphitic carbon nitride photocatalyst discovery. A prompt‐engineered, cross‐model large language model ensemble automates high‐fidelity extraction, enabling interpretable machine learning to identify dominant performance descriptors. These data‐driven
Dianyuan Li, Xichen Sun, Shaohua Sun, Runzhou Wang, Miaomiao Zhang, Meng Xiao, Yue Wang, Yuezhou Zhang   +7 more
wiley   +1 more source

Recent Advances in Sustainable Single‐Atom Catalysts from Biomass and Solid Waste: Design, Synthesis and Applications

Advanced Science, EarlyView.
Biomass‐ and solid waste‐derived sustainable single‐atom catalysts (Sus‐SACs) provide a cost‐effective and renewable approach to catalyst design. This review summarizes precursor selection, including AI‐assisted screening, synthesis strategies with emphasis on ultrafast methods, and advanced characterization techniques.
Hongzhe He, Yuhang Qiu, Ruoqun Zhang, Sasha Yang, Jingwei Wang, Jianglong Yu, Lian Zhang, Ning Chen, Baiqian Dai   +8 more
wiley   +1 more source

AP‐Lab: An AI‐Driven Autonomous Pilot‐Scale Platform Bridging Materials Discovery and Industrial Manufacturing

Advanced Science, EarlyView.
AP‐Lab bridges materials discovery and industrial manufacturing by coupling proprietary datasets with an application benchmark (PCR Ct). A closed‐loop optimization workflow integrates ML, LLM, and autonomous synthesis/testing to refine magnetic nanoparticles–based nucleic‐acid extraction systems.
Zhan‐Long Wang, Zhifen Ma, Wenxing Song, Guolai Jiang, Boshi Jiang, Mingyang Jiang, Weiliang Shu, Bing Wang, Zhiyuan Wan, Shengyong Geng, Zhen Zhao, Wenhua Zhou, Xue‐Feng Yu   +12 more
wiley   +1 more source

Alternative Metal Oxide Photocatalysts

, 2013
Editors: Juan M. Coronado, Fernando Fresno, María D. Hernández-Alonso, Raquel Portela. Some metal oxide semiconductors attract attention for its better performance in certain reactions compared to TiO2, due to a more suitable band gap, higher adsorption of the reactants on their surface and to a more convenient product distribution.
openaire   +2 more sources

FeCoNiCuPt High‐Entropy Alloy Boosts Photocatalytic Hydrogen Production on Protonated Graphitic Carbon Nitride

Advanced Science, EarlyView.
In this study, FeCoNiCuPt high‐entropy alloy particles (HEA) are loaded onto protonated g‐C3N4 nanosheets (HCN NSs) to construct HEA/HCN composites through an electrostatic self‐assembly method. Protonation treatment enriches the surface of g‐C3N4 nanosheets with abundant active sites and enhances their interfacial charge separation capability ...
Yunzhu Zang, Jiali Ren, Yanjun Xue, Jian Tian   +3 more
wiley   +1 more source

Bandgap‐Dependent Doping of Semiconducting Carbon Nanotube Networks by Proton‐Coupled Electron Transfer for Stable Thermoelectrics

Advanced Electronic Materials, EarlyView.
Proton‐coupled electron transfer doping with benzoquinone is applied to p‐dope dense films of semiconducting single‐walled carbon nanotubes. The doping efficiency depends on the pH of the doping solution and the bandgap of the nanotubes. The highest conductivities and power factors are achieved for small‐bandgap nanotubes, remaining stable for over 120
Angus Hawkey, Xabier Rodríguez‐Martínez, Sebastian Lindenthal, Moritz C. F. Jansen, Reverant Crispin, Jana Zaumseil   +5 more
wiley   +1 more source

Surface‐modified Ag@Ru‐P25 for photocatalytic CO2 conversion with high selectivity over CH4 formation at the solid–gas interface

Carbon Energy
Systematic optimization of the photocatalyst and investigation of the role of each component is important to maximizing catalytic activity and comprehending the photocatalytic conversion of CO2 reduction to solar fuels.
Chaitanya B. Hiragond, Sohag Biswas, Niket S. Powar, Junho Lee, Eunhee Gong, Hwapyong Kim, Hong Soo Kim, Jin‐Woo Jung, Chang‐Hee Cho, Bryan M. Wong, Su‐Il In   +10 more
doaj   +1 more source

Degradation Mechanisms of Rutile‐Type TiO2 Photoanodes during Photoelectrochemical Water Splitting

Advanced Energy Materials, EarlyView.
Combining operando dissolution measurements with microscopy and spectroscopy characterizations, we reveal different degradation mechanisms of rutile‐type TiO2 photoanodes during photoelectrochemical water splitting. In acidic electrolytes, degradation is inhibited once TiO2 reaches saturation.
Yiqun Jiang, Raquel Aymerich‐Armengol, Ilias Efthimiopoulos, Martin Rabe, Andrea M. Mingers, Ningyan Cheng, Benjamin Breitbach, Saswati Santra, Verena Streibel, Ian D. Sharp, Lilian Vogl, Christina Scheu, Siyuan Zhang   +12 more
wiley   +1 more source

Photoinduced Selective Construction of Densely Functionalized Spirocyclic Ethers With Carbyne Equivalents

Angewandte Chemie, EarlyView.
A reactivity programmed cascade between carbyne equivalents and allylic benzoates was developed that sequentially orchestrates all three reactivity modes of carbyne equivalents, enabling the rapid installation of three σ‐bonds at a single carbon center and providing efficient, scalable access to structurally diverse spirocyclic ethers. ABSTRACT Carbyne
Jianke Su, Chu Wang, Zhongping Cai, Jiale Wu, Xu Yan Chen, Jie Wu   +5 more
wiley   +2 more sources