Results 11 to 20 of about 6,042 (221)

Calculations of NEXAFS Spectra of Substituted Benzenes

Le Journal de Physique IV, 1997
We examine the role of substituent strengths and positions for NEXAFS spectra of substituted benzenes by means of static exchange calculations on aniline, phenol, fluorobenzene, and terephthalaldehyde. Chemical shifts and intensities of the ls → π* excitations are found to be closely related to the electronegative character of the substituent group ...
L. Yang, O. Plachkevytch, H. Ågren, L. G.M. Pettersson   +3 more
openaire   +2 more sources

Unveiling excitonic insulator signatures in Ta $$_\textrm{2}$$ NiSe $$_\textrm{5}$$ through structural and orbital probes [PDF]

Scientific Reports
The high-temperature phase of Ta $$_\textrm{2}$$ NiSe $$_\textrm{5}$$ , a near-zero-gap semiconductor ( $$E_G$$ = 0), is a promising candidate for an excitonic insulator.
Nour Maraytta, Peter Nagel, Fatemeh Ghorbani, Amir Ghiami, Santanu Pakhira, Mai Ye, Björn Wehinger, Federico Abbruciati, Gaston Garbarino, Matthieu Le Tacon, Stefan Schuppler, Amir-Abbas Haghighirad, Michael Merz   +12 more
doaj   +2 more sources

Heat-induced transformation of nickel-coated polycrystalline diamond film studied in situ by XPS and NEXAFS [PDF]

Beilstein Journal of Nanotechnology
Controlling high-temperature graphitization of diamond surfaces is important for many applications, which require the formation of thin conductive electrodes on dielectric substrates.
Olga V. Sedelnikova, Yuliya V. Fedoseeva, Dmitriy V. Gorodetskiy, Yuri N. Palyanov, Elena V. Shlyakhova, Eugene A. Maksimovskiy, Anna A. Makarova, Lyubov G. Bulusheva, Aleksandr V. Okotrub   +8 more
doaj   +2 more sources

TiO₆ as a Compensatory Structural Unit in Co-Free, High-Ni Layered Oxide for Durable Lithium-Ion Batteries. [PDF]

Adv Sci (Weinh)
Ti substitution stabilizes Co‐free high‐Ni layered oxides through both structural and electronic effects. TiO6 octahedra act as compensatory structural units that help interrupt cooperative Jahn–Teller distortion and suppress detrimental phase transitions, while the electron‐withdrawing inductive effect of Ti stabilizes the oxygen lattice. As a result,
Ying B, Teng Z, Wang J, Tian H, von Petersdorff-Campen C, Tolla RT, Mikulska I, Voigt L, Nowak S, Naber V, Schökel A, Liu Y, Merz M, Nagel P, Schuppler S, Frenzel K, Jonas A, Mathies L, Winter M, Kleiner K.   +19 more
europepmc   +2 more sources

Study on the Reaction Mechanism of RuO_x and Its Enhanced Hydrogen Evolution Reaction Activity. [PDF]

Adv Sci (Weinh)
In situ Raman spectroscopy and DFT calculations reveal that, prior to the onset of HER, the surface of RuOx undergoes reversible reduction and structural reconstruction. The resulting Ru(II)O/Ru(IV)O2 configuration is identified as the true catalytically active species.
Zhang L, Dong H, Feng J, Liu L, Guo F, Kang L, Chai G, Ghanem MA, Chen X, Parkin IP.   +9 more
europepmc   +2 more sources

High-Resolution Table-Top NEXAFS Spectroscopy [PDF]

Analytical Chemistry, 2022
A table-top near-edge X-ray absorption fine structure (NEXAFS) spectroscopy system consisting of a soft X-ray source and an integrated spectrometer with a significantly improved resolution is presented. The soft X-ray source is based on a long-term stable and nearly debris-free picosecond laser-induced plasma generated in a pulsed krypton gas jet ...
Jonathan Holburg, Matthias Müller, Klaus Mann, Philip Wild, Karin Eusterhues, Jürgen Thieme   +5 more
openaire   +3 more sources

FlexPES: a versatile soft X-ray beamline at MAX IV Laboratory

Journal of Synchrotron Radiation, 2023
FlexPES is a soft X-ray beamline on the 1.5 GeV storage ring at MAX IV Laboratory, Sweden, providing horizontally polarized radiation in the 40–1500 eV photon energy range and specializing in high-resolution photoelectron spectroscopy, fast X-ray ...
Alexei Preobrajenski, Alexander Generalov, Gunnar Öhrwall, Maxim Tchaplyguine, Hamed Tarawneh, Stephan Appelfeller, Eleanor Frampton, Noelle Walsh   +7 more
doaj   +1 more source

NEXAFS data TiO2 anatase (101) + 4-MBA

, 2022
NEXAFS dataset from TiO2 anatase (101) + 4-MBA ...
Photon Science Institute, Compean Gonzalez, Claudia Lorena, Department of Materials   +2 more
core   +2 more sources

Revealing the Nanoscale Morphology Changes of Polymer Electrolyte Membrane Fuel Cell Catalyst Layers due to Conditioning. [PDF]

Adv Sci (Weinh)
We apply ex situ and in situ scanning transmission X‐ray microscopy to reveal the structural degradation of polymer electrolyte membrane fuel cell catalyst layers due to conditioning and thermal heating of the catalyst coated membrane. We observe a redistribution of the ionomer and carbon‐black in the catalyst layer, as well as nanoscale membrane ...
Lytle S, Parmar HB, Wang J, Yamashita S, Bazylak A.   +4 more
europepmc   +2 more sources

NEXAFS data TiO2 rutile (110) + 4-MBA

, 2022
NEXAFS dataset from TiO2 rutile (110) surface + 4 ...
Photon Science Institute, Compean Gonzalez, Claudia Lorena, Department of Materials   +2 more
core   +2 more sources