scholarly journals A General Two‐Step Strategy–Based High‐Throughput Screening of Single Atom Catalysts for Nitrogen Fixation

Small Methods ◽  
2018 ◽  
Vol 3 (9) ◽  
pp. 1800376 ◽  
Author(s):  
Chongyi Ling ◽  
Yixin Ouyang ◽  
Qiang Li ◽  
Xiaowan Bai ◽  
Xin Mao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
High Throughput ◽  
High Throughput Screening ◽  
Single Atom

Machine learning-based high throughput screening for nitrogen fixation on boron-doped single atom catalysts

2020 ◽  
Vol 8 (10) ◽  
pp. 5209-5216 ◽  
Author(s):  
Mohammad Zafari ◽  
Deepak Kumar ◽  
Muhammad Umer ◽  
Kwang S. Kim
Keyword(s):  
Machine Learning ◽  
Nitrogen Fixation ◽  
High Throughput ◽  
High Throughput Screening ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Reduction ◽  
Computational Burden ◽  
Boron Doped

Machine learning (ML) methods would significantly reduce the computational burden of catalysts screening for nitrogen reduction reaction (NRR).

High-throughput screening of transition metal single atom catalysts anchored on molybdenum disulfide for nitrogen fixation

Nano Energy ◽  
2020 ◽  
Vol 68 ◽  
pp. 104304 ◽  
Author(s):  
Tong Yang ◽  
Ting Ting Song ◽  
Jun Zhou ◽  
Shijie Wang ◽  
Dongzhi Chi ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
Molybdenum Disulfide ◽  
High Throughput ◽  
High Throughput Screening ◽  
Single Atom

Efficient Modulation of Catalytic Performance of Electrocatalytic Nitrogen Reduction with Transition Metal Anchored N/O-codoped Graphene by Coordination Engineering

2021 ◽  
Author(s):  
Xiaolin Wang ◽  
Li-Ming Yang
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
High Throughput ◽  
First Principles ◽  
High Throughput Screening ◽  
Catalytic Performance ◽  
Nitrogen Reduction ◽  
Highly Efficient ◽  
First Time

We for the first time report the discovery of a series of highly efficient electrocatalysts, i.e., transition metal anchored N/O-codoped graphene, for nitrogen fixation via high-throughput screening combined with first-principles...

In silico high throughput screening of bimetallic and single atom alloys using machine learning and ab initio microkinetic modelling

2020 ◽  
Vol 8 (1) ◽  
pp. 107-123 ◽  
Author(s):  
Shivam Saxena ◽  
Tuhin Suvra Khan ◽  
Fatima Jalid ◽  
Manojkumar Ramteke ◽  
M. Ali Haider
Keyword(s):  
Machine Learning ◽  
Ab Initio ◽  
High Throughput ◽  
Material Properties ◽  
In Silico ◽  
High Throughput Screening ◽  
Chemical Engineering ◽  
Materials Science ◽  
Single Atom ◽  
Single Atom Alloys

The advent of machine learning (ML) techniques in solving problems related to materials science and chemical engineering is driving expectations to give faster predictions of material properties.

High-Throughput Screening of Synergistic Transition Metal Dual-Atom Catalysts for Efficient Nitrogen Fixation

Nano Letters ◽  
2021 ◽  
Vol 21 (4) ◽  
pp. 1871-1878 ◽  
Author(s):  
Xingshuai Lv ◽  
Wei Wei ◽  
Baibiao Huang ◽  
Ying Dai ◽  
Thomas Frauenheim
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
High Throughput ◽  
High Throughput Screening ◽  
Dual Atom

High-throughput screening program for botanical extracts

Planta Medica ◽  
2012 ◽  
Vol 78 (11) ◽  
Author(s):  
L Hingorani ◽  
NP Seeram ◽  
B Ebersole
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Screening Program ◽  
Botanical Extracts

High throughput screening of microbial biodiversity for the discovery of novel cosmeceutical agents

Planta Medica ◽  
2015 ◽  
Vol 81 (16) ◽  
Author(s):  
K Georgousaki ◽  
N DePedro ◽  
AM Chinchilla ◽  
N Aliagiannis ◽  
F Vicente ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Microbial Biodiversity
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