Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 2
·121678
·
IF 7.5
Ruimin Yang,Wenning Mu,Kangping Cui
Advancing toward “dual-carbon” goals and clean hydrogen production, developing visible-light photocatalysts with high activity and durability remains a challenge. Here, Mg-doping engineered CdS/NiCoAl-LDH heterojunctions are constructed and investigated to clarify how Mg incorporation co-modulates structure, band energetics, and hydrogen-evolution behavior. Multiscale characterizations combined with density functional theory (DFT) calculations show that appropriate Mg doping strengthens visible-light absorption, suppresses photogenerated electron-hole recombination, reduces interfacial charge transfer resistance, and optimizes band alignment, with the conduction band shifting to more negative potential and the valence band shifting upward, thereby strengthening the reducing power of photogenerated electrons and enhancing the thermodynamic driving force for HER. Under 4 h of visible-light irradiation, CdS/NiCoAlMg(10 %)-LDH achieves a hydrogen evolution rate of 5984.12 μmol·g⁻ 1 ·h⁻ 1 , 2.82 times that of the undoped sample, and retains over 95 % of its initial activity after four cycles, indicating good activity and cycling stability. DFT analysis reveals that Mg partially substitutes Ni, redistributes electronic states near the Fermi level, and optimizes hydrogen adsorption at Co active sites, thereby lowering reaction barriers for the hydrogen evolution reaction. Overall, Mg doping tunes band edges, optimizes active-site electronic structure, and accelerates interfacial charge transport in CdS/NiCoAl-LDH, leading to enhanced photocatalytic hydrogen evolution under visible light.
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Surfaces and Interfaces
·
2026
·
IF 6
Ruoyun Gao,Zhinan Xia,Pengfei Li,Ruijuan Bian,Nianbo Zhang,Jingping Lu,Chunhuang Fan,Lifei Liu,Yang Deng
This study addressed the critical need for antibiotic pollution control in industrial wastewater by successfully constructing a two-dimensional/two-dimensional NiFe-LDH/C 3 N 4 Z-type heterojunction photocatalyst with strong chemical bonding through an innovative interfacial chemical engineering strategy. Thermal activation was used to expose N active sites on the C 3 N 4 surface, and in-situ growth of NiFe-LDH nanosheets was achieved via co-precipitation. Stable Ni-N and Fe-N coordination bonds were constructed at the heterojunction interface, forming an efficient interfacial charge transport channel that significantly suppressed the recombination of photogenerated carriers. Material characterization showed that the catalyst possessed a broadened visible light response, enhanced specific surface area, and optimized charge separation efficiency. Photocatalytic experiments demonstrated excellent degradation performance for fluoroquinolone antibiotics such as norfloxacin, ciprofloxacin, and ofloxacin. Norfloxacin achieved a 90% removal rate within 120 minutes, with good cycling stability. Mechanistic studies revealed that the degradation process is primarily driven by superoxide radicals (·O 2 - ). This work not only proposed a novel method for constructing heterostructures through "surface active site design and in-situ interface bonding", but also experimentally revealed the key role of interfacial chemical bonding in regulating band structure, promoting charge separation and enhancing material stability, providing important theoretical and practical basis for the rational design of efficient and stable photocatalytic materials under the guidance of surface and interface science.
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2026
·
IF 9.2
Jieyu Zhang,Qianwei Chen,Sichen Wang,Xingyu Bai,Zhongchuang Liu,Jiangxiong Deng,Dongyu Wang,Yanmou Shao,Shu-Juan Bao
Active, stable, and low-cost alkaline oxygen evolution reaction (OER) catalyst is essential for large-scale hydrogen (H 2 ) production via electrochemical water splitting. Traditional catalyst design often relies on experience-driven, trial-and-error approaches, limits exploration efficiency. To overcome this, we present an artificial intelligence (AI)-assisted high-throughput framework combining large language models (LLMs)-based literature mining and Python-driven simulations. LLMs identifies FeNi-layered double hydroxide (FeNi-LDH) has excellent activity for OER while Python-based simulations propose a needle-like facilitate bubble detachment. In our experimental, the as-prepared FeNi-LDH exhibits good OER activity (237 mV at 10 mA cm −2 ). After growing FeNi-LDH on NiTe array, the needle-like FeNi-LDH-NiTe not only delivers enhanced activity (198 mV at 10 mA cm −2 ), but also exhibits faster bubble generation and migration, which allow it to stably work at high current density (1 A cm −2 ). The successful AI-guided catalyst design proposes a clear strategy to decouple kinetic and non-kinetic optimization for exploring excellent electrocatalyst.
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Catalysts
·
2026
·Vol. 16
·期 1
·
IF 4
Xin Liu,Jinshan Zhang,Tao Sun,Hisahiro Einaga,Hajime Hojo,Pengwei Huo
A series of novel Ce-modified MnCoAl layered double oxides (Ce/MCA LDOs) were prepared using solvothermal and impregnation methods for NH3-SCR denitration. Various characterizations, such as X-ray diffraction (XRD), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and H2temperature-programmed reduction (H2-TPR) were used to investigate their structural properties and the mechanism of ammonia selective catalytic reduction (NH3-SCR). The incorporation of Ce was found to effectively integrate into the LDO framework and enhance the catalytic activity over a wide temperature window. Moreover, the thermal stability and resistance of H2O and SO2were evaluated. In situ DRIFTS studies revealed that the reaction follows both the “Langmuir–Hinshelwood” (L–H) and “Eley–Rideal” (E–R) mechanisms. This work provides systematic insights into the design of LDO-based catalysts, demonstrating their potential for practical application in denitration.
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APPLIED SURFACE SCIENCE
·
2026
·
IF 6.6
Yuan Rui,Yong Liu,Fuqi Zheng,Zong Li,Miaohui Wang,Haiping Lin,Peipei Huang,Qing Li
Developing green hydrogen production via urea-assisted water splitting is of great importance for mitigating energy crisis and environmental concerns. However, accelerating the sluggish anodic reaction kinetics yet remains challenging. Herein, self-supported nickel cobalt layered double hydroxides (NiCo-LDH) with unsaturated coordination nickel sites were prepared via regulating the crystallinity by an electrodeposition method. The NiCo-LDH-50 homojunction with an optimal amorphous/crystalline ratio exhibits rapid urea oxidation reaction (UOR) kinetics with a low Tafel slope of 10.9 mV dec −1 . It requires only 1.18/1.29 V versus reversible hydrogen electrode to reach 10/100 mA cm −2 during UOR. Structural characterizations and theoretical calculations reveal that a moderate ratio of amorphous/crystalline interface not only exposes more unsaturated coordination nickel sites and accelerates the electron transfer, but also lowers the energy barrier of Ni 3+ /Ni 2+ transformation and promotes a more reversible catalytic cycle, thus leading to excellent UOR performance. When employed as the anode in a two-electrode urea electrolyzer, 1.29 V is required to achieve 10 mA cm −2 with an excellent stability. This work provides an effective approach for designing high-performance electrocatalysts for sustainable development of the energy and environment field.
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ChemCatChem
·
2023
·Vol. 15
·期 5
·e202201469
·
IF 4.5
Zhe Jia,Jiayin Shang,Kaijing Xue,Xi Yang,Sumin Wang,Changhua Xu,Qiguan Wang
Graphical High OER/ORR performances : boosted oxygen reduction reaction (ORR) as well as optimized oxygen evolution reaction (OER) and high-activity zinc-air batteries (ZAB), from a nitrogen-doped carbon nanomaterial (NCM) inserted Ni−Co layered double hydroxide (NiCo-LDH) electrocatalyst on nickel foam are achieved. The super thin NCM prepared by calcination of self-assembled perylenetetracarboxylic dianhydride/dicyandiamide improves the conductivity, electroactive surface area of NiCo-LDH nanoplates. Herein, a high performance bifunctional catalyst was prepared by inserting N-doped nanomaterials into Ni−Co layered dihydroxides (NiCo-LDH) nanoplates for high performance zinc-air battery. By using self-assembly of perylenetetracarboxylic dianhydride and dicyandiamide in the hydrothermal condition, a nitrogen-containing super thin carbonaceous nanosheet is achieved after calcination. Then NCM inserted NiCo-LDH nanoplates attached to nickel foam (NiCo-LDH/NCM@NF) are synthesized by in-situ production of NiCo-LDH species on NCM wrapped NF. The specific NCM improves the conductivity, electroactive surface area and the ORR/OER bifunctional activity of NiCo-LDH nanoplates. In addition, benefited from the formed rich oxygen vacancies, NiCo-LDH/NCM@NF delivers the low OER overpotential (352 mV at 50 mA cm −2 ) and boosted ORR performance with a half-wave potential of 0.765 V vs RHE. As the air cathode, the fabricated ZAB devices show a satisfactory capacity of 685 mAh g −1 and the energy density of 158 mW cm −2 .
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APPLIED CLAY SCIENCE
·
2022
·
IF 5.907
Jing Ni,Jie Wang,Shujun Zhao,Fei Zhong,Ting Qu,Fuqiang Hu,Hai Liu,Chunli Gong,Sheng Wen
An optimal trade-off between ionic conductivity and mechanical properties is critical for ensuring high-performance applications of anion exchange membranes (AEMs). Herein, a bifunctional porous substrate with a nanoarchitecture morphology was prepared; it comprised a two-dimensional (2D) inorganic hydroxide ion conductor (layered double hydroxide, LDH) anchored on three-dimensional natural bacterial cellulose (BC) nanofibers (LDH@BC) and served as a strong reinforcing framework as well as an ion transport medium. The obtained LDH@BC can effectively prevent the layer stacking of LDH caused by space limitations and regulation functions of the BC fiber substrate, thus providing space for the inherent anion-transport ability of LDH. After quaternized chitosan (QCS) impregnation, the composite membrane showed a high OH − conductivity of 42.54 mS cm −1 (80 °C), while the conductivity of the QCS/BC membrane was only 27.90 mS cm −1 . More importantly, owing to the synergistic reinforcing effect of LDH@BC, the mechanical strength of the resultant composite AEMs increased sharply to 64.3 MPa, which was nearly 2.5 times higher than that of the pure QCS membrane (only 18.4 MPa). Benefiting from the simultaneously improved anion conductivity and mechanical strength, the QCS-filled LDH@BC composite membrane demonstrated a superior peak power density of 84.2 mW cm −2 , while for the fuel cell based on QCS/BC, this value was only 48.0 mW cm −2 .
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Biomaterials Science
·
2022
·Vol. 10
·期 5
·1317-1325
·
IF 7.59
Bengao Zhu,Xuefei Lv,Mengmeng Zhang,Huiying Wang,Senbin Chen,Jintao Zhu
Integrating magnetic resonance imaging (MRI)-targeted diagnosis with synergistic cascade treatments, such as chemo/chemodynamic therapy (CT/CDT), is highly desired for promoting the antitumor performance; however, the rational design of such “all-in-one” nanomedicine is still in its infancy. In this report, using MnO2 coated layered dihydroxide (LDH) as a carrier to load chemotherapy molecule 5-flurouracil (5-FU), a novel tumor microenvironment (TME) regulating nanodrug is formed: LDH/5-FU@MnO2. Combined guidance of CT/CDT and MRI is used to realize synergistic diagnosis and enhanced anti-tumor efficacy. MnO2 is converted into Mn2+ in the presence of reducing agent GSH, the in situ generated Mn2+, not only serves as the chemical fuel for the Fenton reaction, combining H2O2 depletion and ˙OH generation, but can also be used as a nuclear magnetic contrast agent for MRI. Moreover, the tumor acidic environment is able to trigger 5-FU release for initiating chemotherapy in the tumor zone. This “all-in-one” LDH/5-FU@MnO2 nanomedicine integrating multiple treatment modalities and magnetic resonance imaging properties, causes persistent modulation of the TME and exhibits effective antitumor theranostic performance. Such a sophisticated nanomedicine design not only achieves improved CT/CDT antitumor efficiency, but also realizes the activatable magnetic resonance imaging. This strategy combines the merits of each treatment, significantly enhancing the anticancer efficacy, and is anticipated to display promising potentials in the clinical translation plans.
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PubMed
高影响因子
Materials Today Chemistry
·
2022
·
IF 7.613
Y. Chen,M. Yang,Y. Jia,P. Yan,F. Chen,J. Qian,L. Xu,H. Li
Photoelectrochemical (PEC) aptasensor based on photoactive species with remarkable and stable PEC response is a rising analytical method to implement highly efficient and sensitive detection of residual antibiotics in the field of food. Herein, NiS 2 /NiFe-layered double/graphitic carbon nitride (NiS 2 /NiFe LDH/g-C 3 N 4 ) ternary heterostructure designed by the surface vulcanization of flower-like NiFe LDH/g-C 3 N 4 was used for developing a label-free PEC aptasensing platform to detect enrofloxacin (ENR). The introduction of NiS 2 with narrow bandgap can strengthen the light harvesting of solar energy, producing large amounts of photoinduced carriers. NiS 2 as the electrons conduction bridge further accelerates the transmission efficiency of electrons in contrast to binary heterojunction, endowing ternary heterostructure with superior photocurrent signal. A label-free PEC aptasensor detected ENR with an amplified detection signal because of the oxidation of ENR molecules by photoinduced holes. This PEC aptasensing platform of ENR manifested a wide detection range from 3.6 × 10 −7 to 30 ng/mL with a low detection limit of 1.2 × 10 −7 ng/mL as well as can provide a sensitive and stable analysis with feasible application to monitor milk and honey samples. This design can open the utilization of ternary heterostructure by surface vulcanization to improve the sensitivity of PEC aptasensing platform for monitoring environmental pollutants.
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Catalysis Science & Technology
·
2022
·Vol. 12
·期 20
·6163-6173
·
IF 6.177
Jin Zhang,Mengting Gao,Ruiyi Wang,Xincheng Li,Pengqi Zhu,Yunwei Wang,Zhanfeng Zheng
Selective hydrogenation of α,β-unsaturated aldehydes under mild conditions is a great challenge in the synthesis of the corresponding alcohols. Herein, we report that a series of oxygen vacancy enriched MgAl-LDH coordinated transition metal hydroxide M(OH)x (M = Ru, Pt, Pd, Ag, Rh, Fe, Co, Ni and Cu) photocatalysts were successfully prepared taking advantage of the “memory effect” of MgAl-LDH. A high yield of α,β-unsaturated alcohols was achieved under visible light irradiation. DFT simulations and DRIFTS results show that oxygen vacancies facilitate the adsorption of –CO groups and hinder the adsorption of –CC groups in cinnamaldehyde, which ensures the high selectivity to cinnamyl alcohol. The highly dispersed and electron-rich transition metal hydroxides facilitated the activation of isopropanol to provide active H species under light irradiation and then enhanced the photocatalytic performance. This study demonstrated oxygen vacancy enriched MgAl-LDH supported transition metal hydroxide M(OH)x photocatalysts for efficient selective hydrogenation under visible light irradiation.
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Nano Research
·
2022
·Vol. 16
·期 4
·4908-4916
·
IF 10.269
Ban Jinjin,Wen Xiaohan,Lei Honghong,Cao Guoqin,Liu Xinhong,Niu Chunyao,Shao Guosheng,Hu Junhua
Domain boundaries are regarded as the effective active sites for electrochemical energy storage materials due to defects enrichment therein. However, layered double hydroxides (LDHs) tend to grow into single crystalline nano sheets due to their unique two-dimentional (2D) lattice structure. Previously, much efforts were made on the designing hierarchical structure to provide more exposed electroactive sites as well as accelerate the mass transfer. Herein, we demonstrate a strategy to introduce low angle grain boundary (LAGB) in the flakes of Ni/Co layered double hydroxides (NiCo-LDHs). These defect-rich nano flakes were self-assembled into hydrangea-like spheres that further constructed hollow cage structure. Both the formation of hierarchical structure and grain boundaries are interpreted with the synergistic effect of Ni 2+ /Co 2+ ratio in an “etching-growth” process. The domain boundary defect also results in the preferential formation of oxygen vacancy (Vo). Additionally, density functional theory (DFT) calculation reveals that Co substitution is a critical factor for the formation of adjacent lattice defects, which contributes to the formation of domains boundary. The fabricated battery-type Faradaic NiCo-LDH-2 electrode material exhibits significantly enhanced specific capacitance of 899 C·g −1 at a current density of 1 A·g −1 . NiCo-LDH-2//AC asymmetric capacitor shows a maximum energy density of 101.1 Wh·kg −1 at the power density of 1.5 kW·kg −1 .
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CHEMICAL ENGINEERING JOURNAL
·
2022
·
IF 16.744
Lijia Huang,Yi Yuan,Yuan Wang,Murat Yılmaz,Tian C. Zhang,Shaojun Yuan
Hydrogen sulfide (H 2 S), a highly toxic, malodorous, and corrosive gas, poses a serious threat to the atmospheric environment and human health. It is highly attractive to design high-performance desulfurization photocatalyst in environmental remediation. Herein, a novel and highly efficient photocatalyst boron-doped TiO 2 combined with MgAl-Layered double hydroxides (B-TiO 2 /LDH) was synthesized via an in-situ hydrothermal method. The B-TiO 2 /LDH photocatalyst exhibited outstanding photocatalytic performance with 100% H 2 S removal efficiency within 120 min under visible light irradiation. The B-TiO 2 /LDH photocatalyst also exhibits a good H 2 S removal efficiency in different desulfurization conditions and delivers remarkable stability in a long-term test. The sulfate formed on the surface of B-TiO 2 /LDH has been shown to favor the light-enhanced catalytic oxidation process. This work provides a promising idea for effectively treating malodorous gas and shows potential of using the novel B-TiO 2 /LDH photocatalyst for future environmental remediation.
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