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2 articles related to "Dft Simulation"

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Articles

Original Research

Published on 21 Nov 2019

Detrimental Effects and Prevention of Acidic Electrolytes on Oxygen Reduction Reaction Catalytic Performance of Heteroatom-Doped Graphene Catalysts

in Energy Materials

Jun Ma
Lele Gong
Yang Shen
Defeng Sun
Bowen Liu
Jing Zhang
Dong Liu
Lipeng Zhang
Zhenhai Xia

Frontiers in Materials

doi 10.3389/fmats.2019.00294

5,135 views
11 citations

Original Research

Published on 09 Feb 2024

Indirect interaction of 13C nuclear spins in diamond with NV centers: simulation of the full J-coupling tensors

in Quantum Sensing and Metrology

Alexander Nizovtsev
Aliaksandr Pushkarchuk
Semen Kuten
Dominik Michels
Dmitry Lyakhov
Nikolai Kargin
Sergei Kilin

Frontiers in Quantum Science and Technology

doi 10.3389/frqst.2024.1332264

3,271 views