Results 81 to 90 of about 1,439 (210)

Toward Energy Efficient Electrochemical Valorization of Waste Nitrate and Sulfide

Advanced Materials, EarlyView.
This work introduces an integrated electrochemical strategy couples nitrate reduction with sulfide oxidation for energy‐efficient wastewater valorization. A Cu‐Co dual‑site catalyst, engineered for close proximity, promotes *NO2 relay and subsequently NH3 formation, enabling the system to operate at substantially reduced cell voltages and produce high ...
Bihao Hu, Yifan Zhou, Xiaoyuan Zhang, Shibo Xi, Qian He, Lei Wang   +5 more
wiley   +1 more source

Ab initio phasing of the diffraction of crystals with translational disorder. [PDF]

Acta Crystallogr A Found Adv, 2019
Morgan AJ, Ayyer K, Barty A, Chen JPJ, Ekeberg T, Oberthuer D, White TA, Yefanov O, Chapman HN.   +8 more
europepmc   +1 more source

Engineering Bilayer Tandem Catalysts on Si‐Based Photocathodes for High‐performance CO2 Reduction to Produce Methane

Advanced Materials, EarlyView.
A Cu/Ag‐Cu bilayer tandem catalyst is designed for a pyramid‐structured p‐Si photocathode, creating multiple and functionally distinct interfaces tailored to specific reaction steps and intermediate stabilization. This Cu/Ag‐Cu‐decorated p‐Si photocathode exhibits both high photocurrent and good selectivity for photoelectrochemical CO2 reduction to CH4.
Hao Wu, Shenghe Si, Haitao Wang, Changlai Wang, Rongchi Dai, Jianuo Li, Shohei Fukaya, Zhenhua Pan, Yujie Xiong, Noritaka Usami, Koyo Norinaga, Yasuyoshi Kurokawa, Suchada Sirisomboonchai, Dong Liu, Qian Wang   +14 more
wiley   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Decoding NASICON and Its Metal Interface for Solid‐State Batteries

Advanced Materials, EarlyView.
This review paper focuses on lithium‐ and sodium‐based NASICON solid electrolytes and their interfaces with metal anodes using a top‐down framework. It begins with NASICON fundamentals, elucidates anode‐induced failure mechanisms, surveys advanced characterization strategies to understand them, summarizes mitigation approaches, and concludes with a ...
Jiaqi Xu, Taiguang Li, Ying Wang, Ruosi Qiao, Quinn Qiao, Yu Chen, Zhou Yu, Chunyi Zhi, Changmin Shi   +8 more
wiley   +1 more source

Towards ab initio phase diagram prediction

, 2015
Une approche théorique combinant des calculs premiers principes et la modélisation thermodynamique a été développée pour décrire et prédire des équilibres de phase, notamment dans les systèmes métalliques et hydrures.Par exemple, la prise en compte de la non-stœchiométrie de phases intermétalliques a été étudiée en couplant ces approches, permettant de
openaire   +1 more source

Scalable and Customizable Single‐Atom Coatings for pH‐Universal H2O2 Electrosynthesis

Advanced Materials, EarlyView.
A universal one‐step soot‐deposition route was developed to convert various metal‐containing paraffins into conformal single‐atom catalyst (SAC) coatings on diverse electrodes, yielding robust, efficient SAC‐coated gas diffusion electrodes for H2O2 electrosynthesis.
Yu Li, Linguo Lu, Kunsheng Hu, Minjia Yan, Xi‐Lin Wu, Zhongfang Chen, Xiaoguang Duan   +6 more
wiley   +1 more source

Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus. [PDF]

Acta Crystallogr D Struct Biol, 2016
Yoshimura M, Chen NC, Guan HH, Chuankhayan P, Lin CC, Nakagawa A, Chen CJ.   +6 more
europepmc   +1 more source

Proximity Induced Magnetic Anisotropy and Trefoil Fermiology in Monolayer FeCl2/Bi(111)

Advanced Materials, EarlyView.
Reorientation of magnetic anisotropy in a 2D van der Waals magnet is demonstrated in monolayer FeCl2 epitaxially grown on a bismuth substrate, from its natural out‐of‐plane direction to a predominantly in‐plane orientation. The FeCl2/bismuth heterostructure exhibits moiré‐induced interface states, suggesting strong coupling at the interface.
Shigemi Terakawa, Binbin Liu, Frank Schindler, Titus Neupert, Jing‐Rong Ji, Gabriele Domaine, Emily C. McFarlane, Daiyu Geng, Jiabao Yang, Fadi Choueikani, Philippe Ohresser, Manuel Valvidares, Pierluigi Gargiani, Craig Polley, Gerardina Carbone, Mats Leandersson, Stuart S. P. Parkin, Amilcar Bedoya‐Pinto, Niels B. M. Schröter   +18 more
wiley   +1 more source

Superionic Amorphous Li2ZrCl6 and Li2HfCl6

Advanced Materials, EarlyView.
Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley   +1 more source