Xuning Li

Chinese Academy of Sciences

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Junhu Wang

Dalian Institute of Chemical Physics

Yanqiang Huang

Dalian Institute of Chemical Physics

Bin Liu

China University of Petroleum, East China

Alexandre I. Rykov

Russian Academy of Sciences

Tao Zhang

Chinese Academy of Sciences

Xinyi Ren

University of Southern California

Shifu Wang

Shandong Center for Disease Control and Prevention

Weizheng Cai

Southern University of Science and Technology

Hongbin Yang

Suzhou University of Science and Technology

Jie Ding

Harbin Institute of Technology

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Chinese Academy of Sciences

150

Dalian Institute of Chemical Physics

University of Chinese Academy of Sciences

Tsinghua University

Dalian University

University of Science and Technology of China

Central South University

Dalian National Laboratory for Clean Energy

Dalian University of Technology

Nanyang Technological University

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Modulating Electronic Structure Engineering of Atomically Dispersed Cobalt Catalyst in Fenton-like Reaction for Efficient Degradation of Organic Pollutants

Environmental Science & Technology (2023)

Bingkun Huang Xinyi Ren Jian Zhao Zelin Wu Xinhao Wang

Currently, the lack of model catalysts limits the understanding of the catalytic essence. Herein, we report the functional group modification of model single atom catalysts (SACs) with an accurately regulated electronic structure for accelerating the sluggish kinetics of the Fenton-like reaction. The amino-modified cobalt phthalocyanine anchored on graphene (CoPc/G-NH2) shows superior catalytic performance in the peroxymonosulfate (PMS) based Fenton-like reaction with Co mass-normalized pseudo-first-order reaction rate constants (kobs, 0.2935 min-1), which is increased by 4 and 163 times compared to those of CoPc/G (0.0737 min-1) and Co3O4/G (0.0018 min-1). Density functional theory (DFT) calculations demonstrate that the modification of the -NH2 group narrows the gap between the d-band center and the Fermi level of a single Co atom, which strengthens the charge transfer rate at the reaction interface and reduces the free energy barrier for the activation of PMS. Moreover, the scale-up experiment realizes 100% phenol removal at 7200-bed volumes during 240 h continuous operation without obvious decline in catalytic performance. This work provides in-depth insight into the catalytic mechanism of Fenton-like reactions and demonstrates the electronic engineering of SACs as an effective strategy for improving the Fenton-like activity to achieve the goal of practical application.

Degradation

10.1021/acs.est.3c04712

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Citations (61)

Layered Fe-Substituted LiNiO₂ Electrocatalysts for High-Efficiency Oxygen Evolution Reaction

ACS Energy Letters (2017)

Kaiyue Zhu Tao Wu Yue Zhu Xuning Li Mingrun Li

LiNi1–xFexO2 (0 ≤ x ≤ 0.3) and LiyNi0.8Fe0.2O2 (0.8 ≤ y ≤ 1.2) catalysts for the oxygen evolution reaction (OER) were systematically investigated to discover the influence of the composition and layered structure on electrochemical activity. LiNi0.8Fe0.2O2 exhibits OER activity that is better than that of LiNiO2 and other Fe-substituted LiNiO2 catalysts, while Li1.2Ni0.8Fe0.2O2 shows OER activity that is much higher than that of LiNi0.8Fe0.2O2 and Li0.8Ni0.8Fe0.2O2. The best OER activity is achieved on Li1.2Ni0.8Fe0.2O2 with a Tafel slope of 59 mV dec–1 and a current density of 10 mA cm–2 at an overpotential of 302 mV, better than that for the benchmark IrO2 catalyst. Combined with the density functional theory calculations, the enhanced OER activity is mainly attributed to the unique electronic structure derived from the interaction of Li, Ni, and Fe in the materials and the layered structure which plays an important role in stabilizing the high valence states of Ni and Fe during the OER.

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Oxygen evolution

10.1021/acsenergylett.7b00434

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Citations (52)

Single-Mg-Atom Catalyst with a Dual Active Center as an Emerging Promising Sensing Platform

ACS Applied Materials & Interfaces (2024)

Lingxia Wu Feifei Yang Kai Niu Jian Zhao Xiong Zhang

Bisphenol compounds [bisphenol A (BPA), etc.] are one class of the most important and widespread pollutants in food and environment, which pose severe endocrine disrupting effect, reproductive toxicity, immunotoxicity, and metabolic toxicity on humans and animals. Simultaneous rapid determination of BPA and its analogues (bisphenol S, bisphenol AF, etc.) with extraordinary potential resolution and sensitivity is of great significance but still extremely challenging. Herein, a series of single-atom catalysts (SACs) were synthesized by anchoring different metal atoms (Mg, Co, Ni, and Cu) on N-doped carbon materials and used as sensing materials for simultaneous detection of bisphenols with similar chemical structures. The Mg-based SAC enables the potential discrimination and simultaneous rapid detection of multiple bisphenols, showing outstanding analytical performances, outperforming all other SACs and traditional electrode materials. Our experiments and density functional theory calculations show that pyrrolic N serves as the adsorption site for the adsorption of bisphenols and the Mg atom serves as the active site for the electrocatalytic oxidation of bisphenols, which play a synergistic role as dual active centers in improving the sensing performance. The results of this work may pave the way for the rational design of SACs as advanced sensing and catalytic materials.

10.1021/acsami.4c03081

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Superior Oxygen Reduction Activity of a Bimetallic Snfe Nanoalloy on Nitrogen-Doped Carbon: Active Sites and Mechanism

Boqin Li Zhen Yang Qian Yang Shifu Wang Shouhua Yang

Bimetallic strip

Carbon fibers

10.2139/ssrn.4966443

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Operando Mössbauer Spectroscopic Tracking the Metastable State of Atomically Dispersed Tin in Copper Oxide for Selective CO₂ Electroreduction

Journal of the American Chemical Society (2023)

Ruru Chen Jian Zhao Yifan Li Yi Cui Ying‐Rui Lu

Metastable state is the most active catalyst state that dictates the overall catalytic performance and rules of catalytic behaviors; however, identification and stabilization of the metastable state of catalyst are still highly challenging due to the continuous evolution of catalytic sites during the reaction process. In this work, operando119Sn Mössbauer measurements and theoretical simulations were performed to track and identify the metastable state of single-atom Sn in copper oxide (Sn1-CuO) for highly selective CO2 electroreduction to CO. A maximum CO Faradaic efficiency of around 98% at -0.8 V (vs. RHE) over Sn1-CuO was achieved at an optimized Sn loading of 5.25 wt. %. Operando Mössbauer spectroscopy clearly identified the dynamic evolution of atomically dispersed Sn4+ sites in the CuO matrix that enabled the in situ transformation of Sn4+-O4-Cu2+ to a metastable state Sn4+-O3-Cu+ under CO2RR conditions. In combination with quasi in situ X-ray photoelectron spectroscopy, operando Raman and attenuated total reflectance surface enhanced infrared absorption spectroscopies, the promoted desorption of *CO over the Sn4+-O3 stabilized adjacent Cu+ site was evidenced. In addition, density functional theory calculations further verified that the in situ construction of Sn4+-O3-Cu+ as the true catalytic site altered the reaction path via modifying the adsorption configuration of the *COOH intermediate, which effectively reduced the reaction free energy required for the hydrogenation of CO2 and the desorption of the *CO, thereby greatly facilitating the CO2-to-CO conversion. This work provides a fundamental insight into the role of single Sn atoms on in situ tuning the electronic structure of Cu-based catalysts, which may pave the way for the development of efficient catalysts for high-selectivity CO2 electroreduction.

Metastability

Tin oxide

Copper oxide

10.1021/jacs.3c06738

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Citations (37)

Catalyst: Single-Atom Catalysis: Directing the Way toward the Nature of Catalysis

Chem (2019)

Xuning Li Yanqiang Huang Bin Liu

Synergistic catalysis

10.1016/j.chempr.2019.10.004

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Citations (72)

Eutrophication risk and cost analysis of reusing reclaimed water for community landscape water body

Water Resources Protection (2012)

Xuning Li

An artificial rapid infiltration treatment and landscape water system in a community in Shenzhen was studied.The relationships between reclaimed water quality,the water exchange cycle,and eutrophication were established based on the results of a water exchange experiment and eutrophication simulation.The relationships between treatment cost,occupied area of treatment facilities,and eutrophication risk of the landscape water were obtained through cost analysis.The results indicate that the method can provide a scientific basis for balancing the contradiction between the cost of reclaimed water and the eutrophication risk of landscape water in design and maintenance of the community landscape water body.

Reclaimed water

Infiltration (HVAC)

Water body

Water cycle

Source

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Citations (1)

Single-atom catalysis: a promising avenue for precisely controlling reaction pathways

Frontiers of Chemical Science and Engineering (2024)

Xiaobo Yang Xuning Li Zhiliang Huang

10.1007/s11705-024-2434-0

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Pyrrolidone derivative-induced synthesis of hollow beta zeolite: formation mechanism and catalytic application in alkylation reaction

Materials Today Sustainability (2022)

Dongpu Zhao Xuning Li Wei Chu Yuzhong Wang Xin Wang

Isobutylene

Petrochemical

Derivative (finance)

Recrystallization (geology)

10.1016/j.mtsust.2022.100246

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Citations (3)

Identifying Active Sites of Nitrogen‐Doped Carbon Materials for the CO₂ Reduction Reaction

Advanced Functional Materials (2018)

Song Liu Hongbin Yang Xiang Huang Linghui Liu Weizheng Cai

Abstract Nitrogen‐doped carbon materials are proposed as promising electrocatalysts for the carbon dioxide reduction reaction (CRR), which is essential for renewable energy conversion and environmental remediation. Unfortunately, the unclear cognition on the CRR active site (or sites) hinders further development of high‐performance electrocatalysts. Herein, a series of 3D nitrogen‐doped graphene nanoribbon networks (N‐GRW) with tunable nitrogen dopants are designed to unravel the site‐dependent CRR activity/selectivity. The N‐GRW catalyst exhibits superior CO 2 electrochemical reduction activity, reaching a specific current of 15.4 A g catalyst −1 with CO Faradaic efficiency of 87.6% at a mild overpotential of 0.49 V. Based on X‐ray photoelectron spectroscopy measurements, it is experimentally demonstrated that the pyridinic N site in N‐GRW serves as the active site for CRR. In addition, the Gibbs free energy calculated by density functional theory further illustrates the pyridinic N as a more favorable site for the CO 2 adsorption, *COOH formation, and *CO removal in CO 2 reduction.

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Carbon fibers

10.1002/adfm.201800499

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Citations (295)