Metal-free boron and sulphur co-doped carbon nanofibers with optimized p-band centers for highly efficient nitrogen electroreduction to ammonia

Wen, Yankun; Zhu, Han; Hao, Jiace; Lu, Shuanglong; Zong, Wei; Lai, Feili; Ma, Piming; Dong, Weifu; Liu, Tianxi

doi:10.1016/j.apcatb.2021.120144

Cited by 68 publications

(36 citation statements)

References 45 publications

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“…Despite the d‐band center, the position of the p‐band center of the nonmetal elements has also been used as an indicator for the electrocatalytic performance of the electrocatalysts. [ 233,234 ] Du et al. have realized the shift of the p‐band center of the electrocatalyst by doping sulfur and boron into the carbon nanofibers (S‐B/CNFs).…”

Section: Descriptors Beyond the D‐band Centermentioning

confidence: 99%

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Jiao

Huang

2021

Adv Funct Materials

231

136

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Closing the carbon-, hydrogen-, and nitrogen cycle with renewable electricity holds promises for the mitigation of the facing environment and energy crisis, along with the continuing prosperity of the human society. Descriptors bridge the gap between the physicochemical factors of electrocatalysts and their boosted activity and serve as guiding principles during the rational design of electrocatalysts. The optimal adsorption strength of key intermediates is potentially accessed under the tendentious guidelines proposed by indicators, such as d-band center, ΔG H , E O* , coordination number (CN), bond length, etc. Here, in this review, a comprehensive summary of the recent advances achieved regarding the descriptors during the rational design of electrocatalysts that aims for the recycling of C/H/N-containing chemicals is offered. The review is initiated by providing the necessity of the development of efficient electrocatalysts and then the physics behind the d-band center is introduced. Then a summary of the recent progress relating to the development of electrocatalysts under the guidance of descriptors is reviewed. Following that, an extended discussion regarding the experimental or theoretical characterization of the d-band center and the descriptors beyond it is provided. Finally, perspectives and challenges in this area are offered.

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Section: Descriptors Beyond the D‐band Centermentioning

confidence: 99%

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Jiao

Huang

2021

Adv Funct Materials

231

136

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“…The N 1s spectrum of Ni 4 -B 1 @BNC is divided into four peaks at 397.9, 398.8, 400.6, and 401.7 eV, ascribed to NB, pyridinic-N (N6), pyrrolic-N (N5), and quaternary-N, respectively. [30][31][32] Ni 4 -B 1 @BNC possesses the highest N contents in N-B (19.7 at%) and N6 (30.0 at%) species among the five different catalysts, compared to Ni 1 -B 2 @BNC (17.5 at%, 20.3 at%), Ni 7 -B 1 @BNC (14.2 at%, 26.5 at%), Ni@NC (0 at%, 20.0 at%), and BNC (19.4 at%, 16.3 at%). The Ni 4 -B 1 @BNC with optimized strain intensity among the different catalysts is favorable for the formation of the most stable hexagonal boron nitride, which has proved a higher activity and selectivity toward the oxygen reduction to H 2 O 2 .…”

Section: Resultsmentioning

confidence: 99%

Lattice Strained B‐Doped Ni Nanoparticles for Efficient Electrochemical H₂O₂ Synthesis

Hui

Zhang

Lai

et al. 2022

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Surface strains are necessary to optimize the oxygen adsorption energy during the oxygen reduction reaction (ORR) in the four‐electron process, but the surface strains regulation for ORR in the two‐electron process to produce hydrogen peroxide (H2O2) is rarely studied. Herein, it is reported that the tensile strained B‐doped Ni nanoparticles on carbon support (Ni‐B@BNC) could enhance the adsorption of O2, stabilize OO bond, and boost the electrocatalytic ORR to H2O2. Moreover, the Ni‐B@BNC catalysts exhibit volcano‐type activity for electrocatalytic ORR to H2O2 as a function of the strain intensity, which is controlled by B content. Among them, Ni4‐B1@BNC exhibits the highest H2O2 selectivity of over 86%, H2O2 yield of 128.5 mmol h–1 g–1, and Faraday efficiency of 94.9% at 0.6 V vs reversible hydrogen electrode as well as durable stability after successive cycling, being one of the state‐of‐the‐art electrocatalysts for two‐electron ORR. The density functional theory calculations reveal that tensile strain introduced by doping B into Ni nanoparticles could decrease the state density of Ni‐3d orbital and optimize the binding energy of OOH* during ORR. A new direction is provided here for the design of highly active and stable catalysts for potential H2O2 production and beyond.

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“…Wen et al synthesized B/S co-doped carbon material for the electrochemical nitrogen-reduction reaction (NRR) using carbon nanotubes as a matrix and nanometer reactor. Due to the interaction of B/S elements, the heteroatoms doping of the S atom resulted in a change in the position of the pz’s orbital center of the B atom so that the heteroatoms catalyst could effectively strengthen the NRR activity [ 28 ]. Tian et al prepared S/B-rGO composites as cathode material for Li/S batteries by a simple method.…”

Section: Introductionmentioning

confidence: 99%

Preparation of Boron/Sulfur-Codoped Porous Carbon Derived from Biological Wastes and Its Application in a Supercapacitor

Wang

et al. 2022

Nanomaterials

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Abundant biomass resources are a good choice for preparing electrode materials for supercapacitors, but developing a versatile and simple synthetic method to convert them into electrode materials remains a challenge. In the present research, our team reports a promising strategy and cost-efficient method to fabricate boron/sulfur-codoped porous carbon from biomass sources, mainly utilizing four biomass materials. Detailed material characterization showed that the samples produced by this approach possess rich B and S doping. Additionally, the original biomass materials treated by activation produce abundant pores. Therefore, owing to the synergetic effect of abundant atomic doping and microporous/mesoporous distribution, the obtained carbon as electrode material manifested excellent specific capacitances of 290 F g−1 at a 0.5 A g−1 current density. Moreover, the specific energy of the prepared samples of the as-assembled symmetric supercapacitor is as high as 16.65 Wh kg−1 in 1 M Na2SO4, with a brilliant cyclical performance of only a 2.91% capacitance decay over 10,000 cycles. In addition, it has been verified universally that three other types of bio-wastes can also prepare electrode material using this method. This paper represents a significant attempt to turn waste biomass into treasure while also providing ideas for the design and preparation of supercapacitor electrode materials.

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Metal-free boron and sulphur co-doped carbon nanofibers with optimized p-band centers for highly efficient nitrogen electroreduction to ammonia

Cited by 68 publications

References 45 publications

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Lattice Strained B‐Doped Ni Nanoparticles for Efficient Electrochemical H₂O₂ Synthesis

Preparation of Boron/Sulfur-Codoped Porous Carbon Derived from Biological Wastes and Its Application in a Supercapacitor

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Metal-free boron and sulphur co-doped carbon nanofibers with optimized p-band centers for highly efficient nitrogen electroreduction to ammonia

Cited by 68 publications

References 45 publications

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Lattice Strained B‐Doped Ni Nanoparticles for Efficient Electrochemical H2O2 Synthesis

Preparation of Boron/Sulfur-Codoped Porous Carbon Derived from Biological Wastes and Its Application in a Supercapacitor

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Lattice Strained B‐Doped Ni Nanoparticles for Efficient Electrochemical H₂O₂ Synthesis