Two-dimensional transition metal diborides: promising Dirac electrocatalysts with large reaction regions toward efficient N2 fixation

2019 ◽  
Vol 7 (45) ◽  
pp. 25887-25893 ◽  
Author(s):  
Xuemin Hu ◽  
Shiying Guo ◽  
Shengli Zhang ◽  
Xiangyu Guo ◽  
Yafei Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
N2 Fixation ◽  
High Efficiency ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Nitrogen Reduction ◽  
Dirac Materials ◽  
Metal Diborides ◽  
Transition Metal Diborides

2D Dirac materials, NbB2 monolayers, are a promising nitrogen reduction reaction electrocatalyst with high efficiency and selectivity.

Transition Metal Diborides: A New Type of High‐performance Electrocatalysts for Nitrogen Reduction

ChemCatChem ◽  
2019 ◽  
Vol 11 (11) ◽  
pp. 2624-2633 ◽  
Author(s):  
Gangqiang Qin ◽  
Qianyi Cui ◽  
Aijun Du ◽  
Weihua Wang ◽  
Qiao Sun
Keyword(s):  
Transition Metal ◽  
High Performance ◽  
Nitrogen Reduction ◽  
New Type ◽  
Metal Diborides ◽  
Transition Metal Diborides

Computational screening of MBene monolayers with high electrocatalytic activity for nitrogen reduction reaction

Nanoscale ◽  
2021 ◽  
Author(s):  
Yameng Li ◽  
Lei Li ◽  
Rao Huang ◽  
Yuhua Wen
Keyword(s):  
Transition Metal ◽  
Electrocatalytic Activity ◽  
2D Materials ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Nitrogen Reduction ◽  
Computational Screening ◽  
Metal Borides ◽  
Potential Applications

As an emerging family of two-dimensional (2D) materials, transition metal borides (MBenes) have attracted increasing interest due to their potential applications in electrochemistry, especially electrocatalysis. In this work, we addressed...

Using the NN dipole as a theoretical indicator for estimating the electrocatalytic performance of active sites in the nitrogen reduction reaction: single transition metal atoms embedded in two dimensional phthalocyanine

2020 ◽  
Vol 8 (7) ◽  
pp. 3598-3605 ◽  
Author(s):  
Fangfang Liu ◽  
Luying Song ◽  
Yunxia Liu ◽  
Fangfang Zheng ◽  
Lu Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Triple Bond ◽  
Active Sites ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Nitrogen Reduction ◽  
Metal Atoms ◽  
Electrocatalytic Performance ◽  
Transition Metal Atoms ◽  
Single Transition

The dipole of the NN triple bond in an adsorbed N2 molecule as an efficient theoretical indicator for estimating NRR activities.

Boosting electrochemical nitrogen reduction reaction performance of two-dimensional Mo porphyrin monolayers via turning the coordination environment

2021 ◽  
Vol 23 (7) ◽  
pp. 4178-4186
Author(s):  
Shiqiang Liu ◽  
Zhiwen Cheng ◽  
Yawei Liu ◽  
Xiaoping Gao ◽  
Yujia Tan ◽  
...  
Keyword(s):  
Energy Conversion ◽  
Reduction Reaction ◽  
Metal Catalysts ◽  
Two Dimensional ◽  
Coordination Environment ◽  
Nitrogen Reduction ◽  
Reaction Performance ◽  
Conversion Efficiencies

Designing atomically dispersed metal catalysts for the nitrogen reduction reaction (NRR) is an effective approach to achieve better energy conversion efficiencies.

Elongated Heterometal Double-Sites Promote Nitrogen Reduction on Two-Dimensional MM’B7 Monolayers

2021 ◽  
Author(s):  
Changyan Zhu ◽  
Chaoxia Wen ◽  
Cong Wang ◽  
Min Zhang ◽  
Yun Geng ◽  
...  
Keyword(s):  
Reduction Reaction ◽  
Two Dimensional ◽  
Long Distance ◽  
Nitrogen Reduction ◽  
Crucial Step

The efficient activation of the adsorbed N2 is the initial and crucial step in the electrochemical nitrogen reduction reaction (NRR) but remains a long-standing challenge. Attaching long-distance heterometal M and...

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

scholarly journals Enabling highly efficient and broadband electromagnetic wave absorption by tuning impedance match in high-entropy transition metal diborides (HE TMB2)

2021 ◽  
Author(s):  
Weiming Zhang ◽  
Fu-Zhi Dai ◽  
Huimin Xiang ◽  
Biao Zhao ◽  
Xiaohui Wang ◽  
...  
Keyword(s):  
Electromagnetic Wave ◽  
Transition Metal ◽  
Impedance Match ◽  
Magnetic Losses ◽  
High Entropy ◽  
Wave Absorption ◽  
Highly Efficient ◽  
Absorbing Materials ◽  
Metal Diborides ◽  
Transition Metal Diborides

AbstractThe advance in communication technology has triggered worldwide concern on electromagnetic wave pollution. To cope with this challenge, exploring high-performance electromagnetic (EM) wave absorbing materials with dielectric and magnetic losses coupling is urgently required. Of the EM wave absorbers, transition metal diborides (TMB2) possess excellent dielectric loss capability. However, akin to other single dielectric materials, poor impedance match leads to inferior performance. High-entropy engineering is expected to be effective in tailoring the balance between dielectric and magnetic losses through compositional design. Herein, three HE TMB2 powders with nominal equimolar TM including HE TMB2-1 (TM = Zr, Hf, Nb, Ta), HE TMB2-2 (TM = Ti, Zr, Hf, Nb, Ta), and HE TMB2-3 (TM = Cr, Zr, Hf, Nb, Ta) have been designed and prepared by one-step boro/carbothermal reduction. As a result of synergistic effects of strong attenuation capability and impedance match, HE TMB2-1 shows much improved performance with the optimal minimum reflection loss (RLmin) of −59.6 dB (8.48 GHz, 2.68 mm) and effective absorption bandwidth (EAB) of 7.6 GHz (2.3 mm). Most impressively, incorporating Cr in HE TMB2-3 greatly improves the impedance match over 1–18 GHz, thus achieving the RLmin of −56.2 dB (8.48 GHz, 2.63 mm) and the EAB of 11.0 GHz (2.2 mm), which is superior to most other EM wave absorbing materials. This work reveals that constructing high-entropy compounds, especially by incorporating magnetic elements, is effectual in tailoring the impedance match for highly conductive compounds, i.e., tuning electrical conductivity and boosting magnetic loss to realize highly efficient and broadband EM wave absorption with dielectric and magnetic coupling in single-phase materials.

Controlled oxygen vacancy engineering on In2O3−x/CeO2−y nanotubes for highly selective and efficient electrocatalytic nitrogen reduction

2020 ◽  
Vol 7 (19) ◽  
pp. 3609-3619
Author(s):  
Zengyao Wang ◽  
Jianfeng Shen ◽  
Wenzhi Fu ◽  
Jiangwen Liao ◽  
Juncai Dong ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Vacancy ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Oxygen Vacancies ◽  
Reduction Reaction ◽  
Nitrogen Reduction

Introducing and adjusting the oxygen vacancies (VO) of transition metal oxides has been proposed as a significant and effective way to tackle the sluggish nitrogen reduction reaction (NRR) in the electrocatalysis process.

Predicting two-dimensional pentagonal transition metal monophosphides for efficient electrocatalytic nitrogen reduction

2019 ◽  
Vol 7 (18) ◽  
pp. 11444-11451 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Haitao Huang
Keyword(s):  
Transition Metal ◽  
Two Dimensional ◽  
Nitrogen Reduction ◽  
Two Dimensional Materials

A new group of two-dimensional materials—pentagonal MP (M = Ti, Zr, Hf)—with applications in nitrogen reduction electrocatalysis are proposed.

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