electronic and geometric structures
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scholarly journals Designing the Electronic and Geometric Structures of Single‐Atom and Nanocluster Catalysts

2021 ◽  
Author(s):  
Tianxiang Chen ◽  
Lin Ye ◽  
Benedict Tsz Woon Lo
Keyword(s):  
Single Atom ◽  
Geometric Structures ◽  
Recent Advances ◽  
Combined Use ◽  
Electronic And Geometric Structures

This article highlights some recent advances in the electronic and geometric structures of single-atom and nanocluster catalysts, which play an inevitably important role in modern catalysis. The combined use of...

scholarly journals Probing the electronic and geometric structures of photoactive electrodeposited Cu2O films by X-ray absorption spectroscopy

2020 ◽  
Vol 389 ◽  
pp. 483-491 ◽  
Author(s):  
Meltem Yilmaz ◽  
Albertus Denny Handoko ◽  
Ivan P. Parkin ◽  
Gopinathan Sankar
Keyword(s):  
Absorption Spectroscopy ◽  
Geometric Structures ◽  
X Ray ◽  
Cu2o Films ◽  
X Ray Absorption ◽  
Electronic And Geometric Structures

Rethinking Electronic and Geometric Structures of Real Hydrodesulfurization Catalysts by In Situ Photon-In/Photon-Out Spectroscopy

2020 ◽  
Vol 124 (32) ◽  
pp. 17586-17598
Author(s):  
Asma Tougerti ◽  
Pardis Simon ◽  
Charlotte Desjacques ◽  
Jean-Sebastien Girardon ◽  
Francesco Mazzanti ◽  
...  
Keyword(s):  
Geometric Structures ◽  
Hydrodesulfurization Catalysts ◽  
Electronic And Geometric Structures

scholarly journals Electronic and Geometric Structures of Rechargeable Lithium Manganese Sulfate Li2Mn(SO4)2Cathode

ACS Omega ◽  
2019 ◽  
Vol 4 (7) ◽  
pp. 11338-11345
Author(s):  
Disha Gupta ◽  
Aravind Muthiah ◽  
Minh Phuong Do ◽  
Gopinathan Sankar ◽  
Timothy I. Hyde ◽  
...  
Keyword(s):  
Manganese Sulfate ◽  
Geometric Structures ◽  
Lithium Manganese ◽  
Electronic And Geometric Structures

Effect of hydrogen bonding on innocent and non-innocent axial ligands bound to iron porphyrins

2019 ◽  
Vol 48 (21) ◽  
pp. 7179-7186 ◽  
Author(s):  
Asmita Singha ◽  
Kaustuv Mittra ◽  
Abhishek Dey
Keyword(s):  
Hydrogen Bonding ◽  
Active Sites ◽  
Iron Porphyrins ◽  
Heme Enzymes ◽  
Geometric Structures ◽  
Axial Ligands ◽  
Hydrogen Bonding Interactions ◽  
Electronic And Geometric Structures

Most known heme enzymes utilize hydrogen bonding interactions in their active sites to control electronic and geometric structures and the ensuing reactivity.

scholarly journals Electronic and Geometric Structures of Paramagnetic Diazadiene Complexes of Lithium and Sodium

ChemistryOpen ◽  
2018 ◽  
Vol 7 (9) ◽  
pp. 701-708 ◽  
Author(s):  
Haleh H. Haeri ◽  
Ramesh Duraisamy ◽  
Nicole Harmgarth ◽  
Phil Liebing ◽  
Volker Lorenz ◽  
...  
Keyword(s):  
Geometric Structures ◽  
Electronic And Geometric Structures

scholarly journals Structure and properties of intrinsic and extrinsic defects in black phosphorus

Nanoscale ◽  
2018 ◽  
Vol 10 (41) ◽  
pp. 19536-19546 ◽  
Author(s):  
Julian Gaberle ◽  
Alexander L. Shluger
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Black Phosphorus ◽  
Structure And Properties ◽  
Geometric Structures ◽  
Functional Theory ◽  
Extrinsic Defects ◽  
Hybrid Density Functional ◽  
Electronic And Geometric Structures

The electronic and geometric structures of a range of intrinsic and extrinsic defects in black phosphorus (BP) are calculated using Density Functional Theory (DFT) and a hybrid density functional.

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