High spin polarized Fe2 cluster combined with vicinal nonmetallic sites for catalytic ammonia synthesis by a theoretical perspective

2021 ◽  
Author(s):  
Hongdan Zhu ◽  
Jolyon Aarons ◽  
Qian Peng
Keyword(s):  
High Spin ◽  
Ammonia Synthesis ◽  
Theoretical Calculations ◽  
Theoretical Perspective ◽  
Spin Polarized ◽  
Catalytic Ammonia Synthesis

An Fe2 catalyst combined with the vicinal nonmetallic sites may break the Brønsted–Evans–Polanyi limitation and lead to a more efficient ammonia synthesis than previously reported. Our theoretical calculations show that...

scholarly journals Microwave-enhanced catalytic ammonia synthesis under moderate pressure and temperature

2021 ◽  
pp. 106344
Author(s):  
Yuxin Wang ◽  
Tuhin S. Khan ◽  
Christina Wildfire ◽  
Dushyant Shekhawat ◽  
Jianli Hu
Keyword(s):  
Ammonia Synthesis ◽  
Moderate Pressure ◽  
Catalytic Ammonia Synthesis

High Spin Polarization of Conduction Band Electrons in GaAs-GaAsP Strained Layer Superlattice Fabricated as a Spin-Polarized Electron Source

2004 ◽  
Vol 43 (6A) ◽  
pp. 3371-3375 ◽  
Author(s):  
Tetsuya Matsuyama ◽  
Hisaya Takikita ◽  
Hiromichi Horinaka ◽  
Kenji Wada ◽  
Tsutomu Nakanishi ◽  
...  
Keyword(s):  
Conduction Band ◽  
Spin Polarization ◽  
High Spin ◽  
Electron Source ◽  
Strained Layer ◽  
Spin Polarized ◽  
High Spin Polarization ◽  
Strained Layer Superlattice

scholarly journals On-surface Synthesis of [7]triangulene Quantum Ring via Antidot Engineering

2020 ◽  
Author(s):  
Jie Su ◽  
Wei Fan ◽  
Pingo Mutombo ◽  
Xinnan Peng ◽  
Shaotang Song ◽  
...  
Keyword(s):  
High Spin ◽  
Ground State ◽  
Density Functional ◽  
Magnetic Ordering ◽  
Open Shell ◽  
Scanning Tunneling ◽  
Quantum Ring ◽  
Tunneling Microscopy ◽  
Entire Family ◽  
Spin Polarized

The ability to engineer geometrically well-defined antidots in large triangulene homologues allows for creating an entire family of triangulene quantum ring (TQR) structures with tunable high-spin ground state and magnetic ordering, crucial for next-generation molecular spintronic devices. Herein, we report the synthesis of an open-shell [7]triangulene quantum ring ([7]TQR) molecule on Au(111) through the surface-assisted cyclodehydrogenation of a rationally-designed kekulene derivative. Bond-resolved scanning tunneling microscopy (BR-STM) unambiguously imaged the molecular backbone of a single [7]TQR with a triangular zigzag edge topology, which can be viewed as [7]triangulene decorated with a coronene-like antidot in the molecular centre. Additionally, dI/dV mapping reveals that both inner and outer zigzag edges contribute to the edge-localized and spin-polarized electronic states of [7]TQR. Both experimental results and spin-polarized density functional theory calculations indicate that [7]TQR retains its open-shell septuple ground-state (� = 3) on Au(111). This work demonstrates a new route for the design of high-spin graphene quantum rings as the key components for future quantum devices.

New opportunities for efficient N2 fixation by nanosheet photocatalysts

Nanoscale ◽  
2018 ◽  
Vol 10 (33) ◽  
pp. 15429-15435 ◽  
Author(s):  
Hao Li ◽  
Chengliang Mao ◽  
Huan Shang ◽  
Zhiping Yang ◽  
Zhihui Ai ◽  
...  
Keyword(s):  
N2 Fixation ◽  
Ammonia Synthesis ◽  
Chemical Processes ◽  
Holy Grail ◽  
Mild Conditions ◽  
Important Chemical ◽  
Catalytic Ammonia Synthesis

Catalytic ammonia synthesis from dinitrogen (N2) under mild conditions has been considered to be the “holy grail” of N2 fixation, which is one of the most important chemical processes in the agriculture, biological and industrial fields.

scholarly journals The role of heterogeneous catalysts in the plasma-catalytic ammonia synthesis

2021 ◽  
Vol 362 ◽  
pp. 2-10 ◽  
Author(s):  
Bhaskar S. Patil ◽  
Nikolay Cherkasov ◽  
Nadadur Veeraraghavan Srinath ◽  
Juergen Lang ◽  
Alex O. Ibhadon ◽  
...  
Keyword(s):  
Heterogeneous Catalysts ◽  
Ammonia Synthesis ◽  
Catalytic Ammonia Synthesis

ChemInform Abstract: Electronically Controllable High Spin Systems Realized by Spin-Polarized Donors

ChemInform ◽  
2010 ◽  
Vol 32 (30) ◽  
pp. no-no
Author(s):  
Tadashi Sugawara ◽  
Hiromi Sakurai ◽  
Akira Izuoka
Keyword(s):  
High Spin ◽  
Spin Systems ◽  
Spin Polarized ◽  
Electronically Controllable

Plasma-Catalytic Ammonia Synthesis in a DBD Plasma: Role of Microdischarges and Their Afterglows

2020 ◽  
Vol 124 (42) ◽  
pp. 22871-22883
Author(s):  
K. van ‘t Veer ◽  
Y. Engelmann ◽  
F. Reniers ◽  
A. Bogaerts
Keyword(s):  
Ammonia Synthesis ◽  
Dbd Plasma ◽  
Catalytic Ammonia Synthesis
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