scholarly journals High-Throughput Equilibrium Analysis of Active Materials for Solar Thermochemical Ammonia Synthesis

2019 ◽  
Vol 11 (28) ◽  
pp. 24850-24858 ◽  
Author(s):  
Christopher J. Bartel ◽  
John R. Rumptz ◽  
Alan W. Weimer ◽  
Aaron M. Holder ◽  
Charles B. Musgrave
Keyword(s):  
High Throughput ◽  
Ammonia Synthesis ◽  
Equilibrium Analysis ◽  
Active Materials ◽  
Solar Thermochemical

scholarly journals Ammonia synthesis for producing supercritical steam in the context of solar thermochemical energy storage

2016 ◽  
Author(s):  
Chen Chen ◽  
Hamarz Aryafar ◽  
Gopinath Warrier ◽  
Keith M. Lovegrove ◽  
Adrienne S. Lavine
Keyword(s):  
Energy Storage ◽  
Ammonia Synthesis ◽  
Solar Thermochemical

scholarly journals QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis

2018 ◽  
Vol 140 (50) ◽  
pp. 17702-17710 ◽  
Author(s):  
Qi An ◽  
Yidi Shen ◽  
Alessandro Fortunelli ◽  
William A. Goddard
Keyword(s):  
High Throughput ◽  
In Silico ◽  
Ammonia Synthesis ◽  
Catalyst Design ◽  
In Silico Screening

Thermodynamic analysis of novel vanadium redox materials for solar thermochemical ammonia synthesis from N2 and CH4

2020 ◽  
Vol 45 (4) ◽  
pp. 2569-2577
Author(s):  
Mingkai Fu ◽  
Jiahui Jin ◽  
Haitao Ma ◽  
Lei Wang ◽  
Tianzeng Ma ◽  
...  
Keyword(s):  
Thermodynamic Analysis ◽  
Ammonia Synthesis ◽  
Solar Thermochemical ◽  
Vanadium Redox

Nitrogen-free TMS4-centers in metal–organic frameworks for ammonia synthesis

2020 ◽  
Vol 8 (38) ◽  
pp. 20047-20053 ◽  
Author(s):  
Xingshuai Lv ◽  
Wei Wei ◽  
Hao Wang ◽  
Fengping Li ◽  
Baibiao Huang ◽  
...  
Keyword(s):  
High Throughput ◽  
First Principles ◽  
High Throughput Screening ◽  
Ammonia Synthesis ◽  
Metal Organic Frameworks ◽  
Active Centers ◽  
Performance Properties ◽  
Metal Organic

MOFs for N2 reduction: performing first-principles high-throughput screening on a series of 2D TM–BHT, we could show that a subtle synergism between TMS4 active centers and the ligands is a prerequisite for a high NRR performance, properties which Mo–BHT seems to fulfill.

Modeling of ammonia synthesis to produce supercritical steam for solar thermochemical energy storage

Solar Energy ◽  
2017 ◽  
Vol 155 ◽  
pp. 363-371 ◽  
Author(s):  
Chen Chen ◽  
Hamarz Aryafar ◽  
Keith M. Lovegrove ◽  
Adrienne S. Lavine
Keyword(s):  
Energy Storage ◽  
Ammonia Synthesis ◽  
Solar Thermochemical

scholarly journals Compositional and operational impacts on the thermochemical reduction of CO2 to CO by iron oxide/yttria-stabilized zirconia

RSC Advances ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 1493-1502
Author(s):  
Eric N. Coker ◽  
Andrea Ambrosini ◽  
James E. Miller
Keyword(s):  
Iron Oxide ◽  
Redox Chemistry ◽  
Yttria Stabilized Zirconia ◽  
Stabilized Zirconia ◽  
Synthetic Fuels ◽  
Active Materials ◽  
Thermochemical Reduction ◽  
Solar Thermochemical ◽  
Reduction Of Co2 ◽  
Operational Impacts

The versatile redox chemistry of ferrites makes them useful as active materials for the solar-thermochemical production of synthetic fuels. Optimization of the distribution of iron in a YSZ matrix allows the performance of ferrites to be enhanced.

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