Results 201 to 210 of about 197,218 (267)

Understanding the Chemical and Electronic Properties of Sub‐Monolayer TiO2 on High Surface Area Silica for Jet Fuel Synthesis Applications

Advanced Functional Materials, EarlyView.
Sub‐monolayer titania grafted onto mesoporous silica enables solvent‐free photocatalytic upgrading of furfural and cyclopentanone into jet fuel precursors. Advanced spectroscopic methods reveal tunable surface speciation, acidity, and bandgaps, enhancing catalytic efficiency.
Mark A. Isaacs, Charalampos Drivas, Arthur Graf, Sasha Kroon, Santosh Kumar, Junxi Liu, Antonio Torres‐Lopez, Cameron Price, Edward Garland, Ines Lezcano‐Gonzalez, Christopher. M. A. Parlett, Vannia C. dos Santos‐Durndell, Lee J. Durndell   +12 more
wiley   +1 more source

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics. [PDF]

J Phys Chem A
Plasser F, Lischka H, Shepard R, Szalay PG, Pitzer RM, Alves RLR, Aquino AJA, Autschbach J, Barbatti M, Carvalho JR, Chagas JCV, González L, Hansen A, Jayee B, Kertesz M, Machado FBC, Matsika S, do Monte SA, Mukherjee S, Nachtigallová D, Nieman R, Oliveira VP, Oppel M, Parish CA, Pittner J, F Dos Santos LG, Scrinzi A, Sit MK, Spada RFK, Thodika M, Valente DCA, Vázquez-Mayagoitia Á, Ventura E, Westermayr J, Zaichenko A, Zhang Z.   +35 more
europepmc   +1 more source

An Accurate, Affordable Density Functional Tight-Binding Model for Excited State Hydrocarbon Polymer Molecular Dynamics [PDF]

Gautam D. Stroscio, C. Huy Pham, Thomas A. Niehaus, Nir Goldman   +3 more
openalex   +1 more source

Hole Transfer Dynamics in Thin Films of Mixed‐Dimensional Quasi‐2D Perovskites

Advanced Functional Materials, EarlyView.
Charge transfer dynamics in quasi‐2D perovskite (PEA2MAn−1PbnI3n+1), grown with a distinct dimensionality gradient are investigated. Selective excitation of the n = 4 phase reveals efficient hole transfer to n = 2 and n = 3 within tens of picoseconds, while n = 1 acts as a hole‐blocking layer. These findings highlight the importance of minimizing n = 1
Giuseppe Ammirati, Stefano Turchini, Francesco Toschi, Patrick O'Keeffe, Alessandra Paladini, Faustino Martelli, Reem Khanfar, Daimiota Takhellambam, Sara Pescetelli, Antonio Agresti, Daniele Catone   +10 more
wiley   +1 more source

Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state. [PDF]

Chem Sci
Li Z, Zhou Z, Yang K, Yao Y, Zhai Y, Wang D, Zeng Z.   +6 more
europepmc   +1 more source

Blue organic long-persistent luminescence via upconversion from charge-transfer to locally excited singlet state [PDF]

Zesen Lin, Jin-Ting Ye, Shin Shinohara, Yuya Tanaka, Rengo Yoshioka, Chin‐Yiu Chan, Yi-Ting Lee, Xun Tang, Kirill Mitrofanov, Kai Wang, Hayato Ouchi, Liliia Moshniaha, Yemineni S. L. V. Narayana, Hisao Ishii, Xiaohong Zhang, Chihaya Adachi, Xiankai Chen, Ryota Kabe   +17 more
openalex   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

N-Aryl or N-Alkyl Pyridinium-Substituted Excited-State Intramolecular Proton Transfer Fluorophores. [PDF]

Chempluschem
Stoerkler T, Ulrich G, Laurent AD, Jacquemin D, Massue J.   +4 more
europepmc   +1 more source

Distinguishing between keto-enol and acid-base forms of firefly oxyluciferin through calculation of excited-state equilibrium constants

, 2014
Olle Falklöf, Bo Durbeej
openalex   +2 more sources

Soft and Stiff 3D Microstructures by Step‐Growth Photopolymerization Using a Single Photoresin and Multi‐Photon Laser Printing

Advanced Functional Materials, EarlyView.
An additive and initiator‐free photoresin based on a prepolymer decorated with photoreactive step‐growth units as crosslinkers allows for the fabrication of 3D microstructures with strongly disparate mechanical properties ranging from stiff to soft. Abstract Manufacturing three‐dimensional (3D) microstructures with multi‐material properties via two ...
Tugce Nur Eren, Jiajie Liang, Jonathan Ludwig Günter Schneider, Martin Wegener, Jens Bauer, Katharina Ehrmann, Florian Feist, Christopher Barner‐Kowollik   +7 more
wiley   +1 more source