Results 131 to 140 of about 71,035 (324)

Composition and Resulting Band Alignment at the TiO2/InP Heterointerface: A Fundamental Study Combining Photoemission Spectroscopy and Theory

Advanced Functional Materials, EarlyView.
The chemical composition and band alignment are systematically investigated at the TiO2/InP heterointerface. Thin TiO2 films are deposited by ALD on atomically ordered, P‐terminated p‐InP(100). By combining UPS, XPS, and ab initio molecular dynamics, the atomistic structure and electronic alignment are revealed.
Mohammad Amin Zare Pour, Muhammad Nawaz Qaisrani, Christian Höhn, Johannes Laurenz Wolf, Negin Mogharehabed, Jennifer Velazquez Rojas, Wolfram Jaegermann, Erich Runge, Roel van de Krol, Thomas Hannappel, Christian Dreßler, Agnieszka Paszuk   +11 more
wiley   +1 more source

Microwave Spectrum, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion of 2,2-Difluoroethanol. [PDF]

, 1980
K.‐M. Marstokk, Harald Møllendal, M. Lehmann, Grethe Neerland, V. P. Spiridonov, T. G. Strand, V. F. Sukhoverkhov   +6 more
openalex   +1 more source

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

Advanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang, Zelin Wu, Yingfang Jiang, Di Zhang, Qiang Wang, Congwei Wang, Huihui Li, Xue Jia, Jun Fan, Hao Li   +9 more
wiley   +1 more source

Microwave Spectrum, Conformational Equilibria, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion of 3-Hydroxypropanenitrile. [PDF]

, 1985
K.‐M. Marstokk, Harald Møllendal, Aladár Valent, Per‐Erik Werner, Marianne Westdahl, Milan Žemlička   +5 more
openalex   +1 more source

Ambient‐Dried MOF/Cellulose‐Based Aerogels for Atmospheric Water Harvesting and Sustainable Water Management in Agriculture

Advanced Functional Materials, EarlyView.
Ambient‐dried composite aerogels integrating MOF‐303, TEMPO‐oxidized cellulose nanofibers (TOCNF), and hygroscopic salts enable high‐performance atmospheric water harvesting (AWH), achieving competitive uptake at both low and high humidity. Enhanced with a solar‐evaporation layer, these scalable aerogels support self‐sustained plant growth in a ...
Ahmadreza Ghaffarkhah, Mahyar Panahi‐Sarmad, Sara Rostami, Orysia Zaremba, Lukas Alexander Bauman, Seyyed Alireza Hashemi, Subhajit Dutta, Pu Yang, Tianyu Guo, Feng Jiang, Stefan Wuttke, Mohammad Arjmand, Orlando J. Rojas   +12 more
wiley   +1 more source

Exploring alkylpyrazine stability across aggregation states: a DFT perspective

Discover Chemistry
Determining the structure and properties of analytes and their ions, such as proton-bound clusters, is crucial for both the theoretical understanding and practical applications of mass spectrometry, ion mobility spectrometry, and other related chemical ...
Manjeet Bhatia
doaj   +1 more source

Microwave Spectrum, Conformation, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion Constants of (N-Methylamino)-ethanenitrile. [PDF]

, 1985
Ole-Anders Braathen, K.‐M. Marstokk, Harald Møllendal, Markku Tammenmaa, Hans V. Volden   +4 more
openalex   +1 more source

Self‐Assembled Gallium Sulfide (GaS) Heterostructures Enabling Efficient Water Splitting and Selective Ammonia Sensing

Advanced Functional Materials, EarlyView.
Gallium sulfide (GaS) forms self‐assembled heterostructures with its native oxide, exhibiting high performance in water splitting and ultrasensitive and selective ammonia detection. Surface defects and controlled oxidation enhance catalytic activity and sensing response.
Danil W. Boukhvalov, Gianluca D'Olimpio, Tsotne Dadiani, Jyayasi Sharma, Ashraf Abdelrahman Assadig Elameen, Stefano Zenone, Marcin Rosmus, Bekir Gürbulak, Emir Çepni, Eduard Llobet, Elena Magnano, Federica Bondino, Songül Duman, Antonio Politano   +13 more
wiley   +1 more source

Microwave Spectrum, Conformation, Intramolecular Hydrogen Bond and Dipole Moment of 2,3-Butadien-1-ol. [PDF]

, 1983
Anne Horn, K.‐M. Marstokk, Harald Møllendal, Hanno Priebe, O. Faurskov Nielsen   +4 more
openalex   +1 more source

Double Helical Plasmonic Antennas

Advanced Functional Materials, EarlyView.
Plasmonic double helical antennas funnel circularly polarized light to the nanoscale, offering strong chiroptical interaction and directional light emission. Extending a single helix design tool, this study combines numerical modeling with experimental validation, revealing large, broadband dissymmetry factors in the visible range.
Aleksei Tsarapkin, Luka Zurak, Krzysztof Maćkosz, Lorenz Löffler, Victor Deinhart, Ivo Utke, Thorsten Feichtner, Katja Höflich   +7 more
wiley   +1 more source