Results 81 to 90 of about 34,772 (314)

First-principles calculation of H vibrational excitations at a dislocation core of Pd

, 2010
Palladium is an ideal system for understanding the behavior of hydrogen in metals. In Pd, H is located both in octahedral sites and in dislocation cores, which act as nanoscale H traps and form Cottrell atmospheres.
Lawler, Hadley M., Trinkle, Dallas R.
core   +1 more source

S = 3 Ground State for a Tetranuclear Mn^(IV)₄O₄ Complex Mimicking the S₃ State of the Oxygen Evolving Complex [PDF]

, 2020
The S₃ state is currently the last observable intermediate prior to O–O bond formation at the oxygen-evolving complex (OEC) of Photosystem II, and its electronic structure has been assigned to a homovalent Mn^(IV)₄ core with an S = 3 ground state.
Agapie, Theodor, Britt, R. David, Chatterjee, Ruchira, Lee, Heui Beom, Marchiori, David A., Oyala, Paul H., Yano, Junko   +6 more
core  

Magnetization and Magnetotransport of LnBaCo2O5.5 (Ln=Gd, Eu) Single Crystals [PDF]

, 2004
The magnetization, resistivity and magnetoresistance (MR) of single crystals of GdBaCo2O5.5 and EuBaCo2O5.5 are measured over a wide range of dc magnetic fields (up to 30 T) and temperature.
C. Frontera, C. S. Alexander, G. L. Bychkov, J. E. Crow, P. Schlottmann, R. P. Guertin, S. McCall, S. N. Barilo, S. V. Shiryaev, Y. Moritomo, Z. Min, Z. X. Zhou   +11 more
core   +1 more source

Coupled Ferroelectric–Photoelectrochemical in Water Reduction Over BiFeO3 Thin Film Heterostructure Modulated by Rare‐Earth Doping

Advanced Functional Materials, EarlyView.
Gd‐doped BFO (BGFO) exhibits a ∼2‐order reduction in leakage current owing to its lowest content of oxygen vacancies. This leads to a ∼2.5‐fold increase in remnant polarization. These improvements in BGFO effectively boost charge separation and transportation, resulting in the greatest incident photon‐to‐current efficiency of 12.9 ± 0.73% and a ∼1.5 ...
Ming‐Wei Chu, Narong Chanlek, Cheng‐Sao Chen, Pin‐Yi Chen, Kuei‐Chih Feng, Chi‐Shun Tu, Chang Fu Dee, Wei Sea Chang   +7 more
wiley   +1 more source

NEW HALOTIN (IV) WITH EDTA: SYNTHESIS AND INFRARED STUDY

Scientific Study & Research: Chemistry & Chemical Engineering, Biotechnology, Food Industry, 2016
Tri acidic or neutral ethylenediaminetetraacetato [H3Y- or Y4-] containing adducts and derivatives have been synthesized and studied by infrared.
SERIGNE CISSE, IBRAHIMA CISSE, LIBASSE DIOP   +2 more
doaj  

Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis

Frontiers in Chemistry, 2019
Single atom catalysts (SACs) are emergent catalytic materials that have the promise of merging the scalability of heterogeneous catalysts with the high activity and atom economy of homogeneous catalysts.
Fang Liu, Tzuhsiung Yang, Jing Yang, Eve Xu, Akash Bajaj, Akash Bajaj, Heather J. Kulik   +6 more
doaj   +1 more source

Ligand Substitution Dynamics [PDF]

, 1968
Substitution of a ligand in an inner sphere complex by an outside group is the most fundamental reaction in metal ion ...
Gray, Harry B., Langford, Cooper H.
core   +1 more source

Exploiting Two‐Photon Lithography, Deposition, and Processing to Realize Complex 3D Magnetic Nanostructures

Advanced Functional Materials, EarlyView.
Two‐photon lithography (TPL) enables 3D magnetic nanostructures with unmatched freedom in geometry and material choice. Advances in voxel control, deposition, and functionalization open pathways to artificial spin ices, racetracks, microrobots, and a number of additional technological applications.
Joseph Askey, Arjen van den Berg, Sandra Ruiz Gomez, Claire Donnelly, Dirk Grundler, Sam Ladak   +5 more
wiley   +1 more source

[(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine-2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate

Acta Crystallographica Section E, 2012
The title compound, [Cu3(C7H3NO4)4(C2H8N2)2]·C2H8N2·4H2O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarboxylic acid (H2dipic) and ethylenediamine (en) in an aqueous solution.
Amir Shokooh Saljooghi, Hadi Amiri Rudbari, Francesco Nicolò, Maliheh Zahmati, Fatemeh Delavar Mendi   +4 more
doaj   +1 more source

Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases [PDF]

, 2010
To enable large-scale reactive dynamic simulations of copper oxide/water and copper ion/water interactions we have extended the ReaxFF reactive force field framework to Cu/O/H interactions.
Bryantsev, Vyacheslav S., Diallo, Mamadou S., Doren, Douglas J., Goddard, William A., III, Hermansson, Kersti, Rahaman, Obaidur, Raymand, David, van Duin, Adri C. T.   +7 more
core   +1 more source