Catalysts
·
2019
·Vol. 9
·期 12
·1061
·
IF 3.444
Zhenhua Dong,Pengwei Gao,Yongmei Xiao,Jing Chen,Wentao Wang
We reveal the Suzuki–Miyaura reaction catalyzed by a Pd–Co nanocatalyst supported by Mg–Fe–CHT (calcined hydrotalcites). A variety of boronic acids and aryl halides were transformed into functionalized biphenyls in excellent yields using water as a solvent. The reaction could proceed under mild conditions with a simple operation and high turnover numbers. The excellent catalytic activities are reasonably attributed to the Co-doping, which forms a Pd–Co alloy on the surface of CHT.Keywords:Suzuki–Miyaura reaction;water solvent;nanocatalyst;palladium;cobalt
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SURFACE & COATINGS TECHNOLOGY
·
2024
·
IF 5.3
Zhi-Hui Xie,Dan Xu,Ya Shu,Qiwen Yong,Liang Wu,Gang Yu
Electroless amorphous nickel (Ni)–phosphorus (P) (Ni P) alloy coatings were successfully achieved on magnesium alloys using an environmentally friendly and facile Mg(OH) 2 conversion film, followed by AgNO 3 activation. The success of the coating was confirmed through scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction characterizations. Electrochemical tests showed that the charge transfer resistance of the newly developed electroless Ni P plating coating, which had a horizontally stacked Mg(OH) 2 nanosheet primer (Mg(OH) 2 /pH 14/ENP), was significantly higher than that with a vertically grown Mg(OH) 2 nanosheet underlayer (Mg(OH) 2 /pH 10/ENP) or that with a phosphate pretreatment (ENP). The measured corrosion current density of the Mg(OH) 2 /pH 14/ENP coating was 1.08 μA cm −2 , one magnitude smaller than that of the ENP coating. Notably, the ENP coating exhibited severe galvanic corrosion , peeling off after only 24 h of the neutral salt spray (NSS) test. In contrast, the Mg(OH) 2 /pH 14/ENP surface showed no visible corrosion cavities or signs of galvanic corrosion even after 120 h of the NSS test or 21 d of exposure to a NaCl solution. These results indicate that the as-prepared coating possesses a strong inhibition capability against galvanic corrosion between the Ni layer and the magnesium alloy, providing long-lasting corrosion protection .
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Journal of Materials Chemistry A
·
2017
·Vol. 5
·期 38
·20439-20447
·
IF 8.867
Lang Pei,Zhe Xu,Zhan Shi,Heng Zhu,Shicheng Yan,Zhigang Zou
Charge separation/transfer and photocorrosion are two major factors limiting the photoelectrochemical (PEC) applications of the Ta3N5 photocatalyst. Herein, we have fabricated Ta3N5 single-crystal nanorods with Mg doping by flux-assisted crystal growth, aiming to shorten the charge transport distance and increase the electrical conductivity. The optimized Mg-doped Ta3N5 photoanodes exhibit an unprecedented PEC water splitting activity with an AM 1.5G photocurrent of 1.5 mA cm−2 at 1.23 VRHE. The high performance is attributed to the fact that the bulk modification, Mg doping, can induce oxygen-impurity surface states as effective electron trap centers, thus increasing the electrical conductivity of Ta3N5 and charge separation efficiency. After a conformal surface modification with CoOOH by a simple electrodeposition method as a water oxidation electrocatalyst to improve the hole extraction and reaction kinetics, the Mg-doped Ta3N5 photoanodes afford an over 4-fold increase in photocurrent (ca. 6.5 mA cm−2 at 1.23 VRHE) and about 70% retention of the initial photocurrent after 70 min irradiation at 1.0 VRHE. Our results testify that the bulk and surface co-modification is an effective route to develop high-performance PEC water splitting devices.
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Journal of Energy Storage
·
2026
·
IF 10.7
Xu Zhang,Qifan Gu,Jiabao Bai,Guoting Long,Yana Liu,Yunfeng Zhu,Jiguang Zhang,Jun Wang,Rui Shi,Xiaohui Hu
VS 2 has attracted extensive attention as potential host material for Mg 2+ /Li + hybrid-ion batteries (MLHBs) because of its considerable capacity and large interlayer spacing. However, the relatively weak adsorption ability and huge volume variations lead to slow reaction kinetics and poor cycle lifespan, which greatly restricts their further application in MLHBs. Herein, we have proposed a synergistic engineering of morphology regulation and sulfur vacancy for the construction of hierarchical VS 2 microflower via two pivotal procedures, which is demonstrated as a high-energy density cathode for MLHBs. Specifically, such special microflower morphology with sufficient interspace and abundant sulfur vacancies can release the inner stress to maintain structural integrity, thus leading to enhanced cycling stability. Meanwhile, the synergistic effect of flower-like structure and abundant sulfur vacancies contributes to providing sufficient redox-active sites, facilitating charge transfer, improving Li + adsorption capacity, and accelerating ion diffusion, as verified by kinetic analysis and theoretical calculations. Consequently, the hierarchical VS 2 microflower exhibits a high reversible capacity of 488.8 mAh g −1 at 100 mA g −1 , an excellent energy density of 406.6 Wh kg −1 , and an ultralong cycling stability with a capacity retention of 72.8% at 4000 mA g −1 after 2000 cycles. Besides, surface-controlled capacitive contribution analysis coupled with in-situ electrochemical impedance spectra (EIS) measurements confirm the excellent reaction kinetics. Therefore, this work presents a synergistic engineering strategy that combines morphology regulation and vacancy introduction in the fabrication of VS 2 -based cathodes for advanced MLHBs.
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BIOMASS & BIOENERGY
·
2026
·
IF 7
Yingying Zhu,Zhong Wang,Jinze Li,Yumeng Ren,Chao Zeng,Geng Chen
Mg-Zn-Fe LDH was anchored on phosphate-modified reed straw biochar. • Mg 1 Zn 1 Fe-LDH@PBC reached a surface area of 394.466 m 2 g −1 . • The adsorbent efficiently removed RhB, MO, and OTC from water. • Maximum RhB adsorption capacity reached 659.2 mg g −1 . • Removal efficiency remained around 70% after five cycles. Sustainable conversion of waste biomass into high-performance adsorbents provides an effective route for organic wastewater remediation. In this study, phosphate-modified reed straw biochar-supported layered double hydroxide composites (LDH@PBC) were synthesized via a facile co-precipitation method. Binary and ternary LDHs containing Mg 2+ , Zn 2+ , and Fe 3+ were constructed on the biochar matrix, and their adsorption performance toward rhodamine B (RhB), methyl orange (MO), and oxytetracycline (OTC) was systematically evaluated. The optimized Mg 1 Zn 1 Fe-LDH@PBC exhibited a well-developed porous structure, abundant surface functional groups, and the highest specific surface area of 394.466 m 2 g −1 . Owing to the synergistic effects of phosphate-modified biochar and Mg-Zn-Fe LDH nanosheets, the composite maintained stable adsorption efficiency over a broad pH range. The optimized Mg 1 Zn 1 Fe-LDH@PBC achieved a maximum experimental RhB adsorption capacity of 659.2 mg g −1 under the optimized dosage condition. In contrast, Langmuir isotherm fitting gave theoretical maximum monolayer adsorption capacities of 944.898, 696.552, and 303.146 mg g −1 for RhB, MO, and OTC at 298 K, respectively. Kinetic and isotherm analyses suggested that the adsorption process may be associated with multiple interactions, including electrostatic attraction, ion exchange, hydrogen bonding, π–π interactions, and possible surface complexation. In addition, the removal efficiency remained around 70% after four adsorption–desorption cycles, indicating favorable reusability. This work highlights a promising biomass-derived LDH/biochar adsorbent for efficient and sustainable removal of multiple organic pollutants from water.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Shinjae Lee,Hayoung Jeong,Hyungjin Choi,Chaewon Lee,Donghyeon Kim,Eonu Nam,Na Hye Kim,Hyeongeon Lee,Jeong Woo Han,Kwangjin An
Ru 1 /Mg(OH) 2 enables hydrogen-free catalytic fractionation of lignocellulose in water. • Single-atom Ru anchored on defect-rich Mg(OH) 2 forms active Ru–O–Mg sites. • C α –OH of β–O–4 linkages acts as an intrinsic hydrogen source for cleavage. • DFT reveals a low-barrier dehydrogenation-assisted β–O–4 scission pathway. • Up to 50.7 wt% aromatic monomers are produced without external hydrogen. Lignin-first biorefining offers a promising route for producing renewable aromatic chemicals; however, most reductive catalytic fractionation (RCF) strategies rely on external hydrogen, limiting their scalability and safety. Here, we report a Ru 1 /Mg(OH) 2 catalyst that enables self‑hydrogen supplied catalytic fractionation (SCF) of lignocellulose in water without external H 2 . The catalyst delivers a remarkably high lignin monomer yield of 50.7 wt% from birch sawdust, approaching the theoretical maximum. Comprehensive characterization (XRD, TEM, XAFS, XPS, Raman, and ESR) reveals that Ru is predominantly atomically dispersed on Mg(OH) 2 and interacts strongly with proton-missing oxygen defects to form unique Ru–O–Mg interfacial sites. These sites generate highly basic oxygen species that promote C α –OH dehydrogenation and subsequently facilitate β–O–4 bond cleavage. Model compound studies confirm that the C α –OH group serves as the intrinsic hydrogen donor, while isotope-labeling experiments and kinetic analysis identify C α –H activation as the rate-determining step. Density functional theory calculations further establish that the dehydrogenation-assisted β–O–4 cleavage pathway has the lowest activation barrier (0.31 eV), validating the endogenous hydrogen mechanism. Collectively, this study provides fundamental insights into hydrogen-free lignin depolymerization and establishes Ru 1 /Mg(OH) 2 as a highly efficient platform for green and scalable lignocellulose valorization. Lignin-first biorefining offers a promising route for producing renewable aromatic chemicals; however, most reductive catalytic fractionation (RCF) strategies rely on external hydrogen, limiting their scalability and safety. Here, we report a Ru 1 /Mg(OH) 2 catalyst that enables self-hydrogen supplied catalytic fractionation (SCF) of lignocellulose in water without external H 2 . The catalyst delivers a remarkably high lignin monomer yield of 50.7 wt% from birch sawdust, approaching the theoretical maximum. Comprehensive characterization (XRD, TEM, XAFS, XPS, Raman, and ESR) reveals that Ru is predominantly atomically dispersed on Mg(OH) 2 and interacts strongly with proton-missing oxygen defects to form unique Ru–O–Mg interfacial sites. These sites generate highly basic oxygen species that promote C α –OH dehydrogenation and subsequently facilitate β–O–4 bond cleavage. Model compound studies confirm that the C α –OH group serves as the intrinsic hydrogen donor, while isotope-labeling experiments and kinetic analysis identify C α –H activation as the rate-determining step. Density functional theory calculations further establish that the dehydrogenation-assisted β–O–4 cleavage pathway has the lowest activation barrier (0.31 eV), validating the endogenous hydrogen mechanism. Collectively, this study provides fundamental insights into hydrogen-free lignin depolymerization and establishes Ru 1 /Mg(OH) 2 as a highly efficient platform for green and scalable lignocellulose valorization. Download: Download high-res image (237KB) Download: Download full-size image
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Results in Surfaces and Interfaces
·
2026
·
IF 6.2
Jinbei He,Hualiang Huang,Xiaotao Zheng
To address the severe corrosion of Mg alloys caused by oxalic acid generated by high-temperature oxidation in automotive engine coolant, this study employed electrochemical testing, surface characterizations, and theoretical calculations to investigate the corrosion inhibition performance, long-term protective mechanism, and adsorption behavior of sodium laurate (SL) on AZ91D Mg alloy in oxalic acid solution. The results indicated that the corrosion inhibition efficiency of 1 g/L SL reached 98.28% in oxalic acid solution, and excellent inhibition performance could still be maintained after 96 h immersion. The adsorption of SL followed the Langmuir adsorption isotherm model, and it could form a dense and stable hydrophobic protective film on the alloy surface. Theoretical calculations showed that SL molecules adsorbed on the alloy surface through a tilted configuration with carboxyl groups as active sites, forming a stable hydrophobic layer through synergistic physicochemical adsorption and effectively inhibiting the alloy corrosion.
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Journal of Water Process Engineering
·
2026
·
IF 6.6
Lingyi Chen,Chuzhan Jin,Huimin Zhang,Chunying Dong,Zhuohui Qian,Micong Jin,Meiqiang Cai
Sludge dewatering supernatant is phosphorus-rich yet underutilized because its high ionic strength and dissolved organic matter limit conventional adsorbents. Here, an Fe/Mg bimetallic sludge biochar (FeMg@SBC) was synthesized via one-step impregnation-pyrolysis for phosphate capture. FeMg@SBC exhibited a maximum adsorption capacity of 116.8 mg/g and maintained efficient phosphate removal over pH 3–11, consistent with the synergistic roles of Fe and Mg sites. Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) revealed Fe-O-P and Mg-O-P linkages formed through ligand exchange with surface hydroxyl/oxide groups, while X-ray diffraction (XRD) confirmed adsorption-induced surface precipitation via metal-phosphate formation. Together with density functional theory (DFT) calculations identifying Fe/Mg-associated oxygen-containing groups as key active sites, these results indicate that phosphate immobilization was governed by coupled ligand exchange and surface precipitation. In real sludge dewatering supernatant, 1.0 g/L FeMg@SBC reduced phosphate from 131.9 to 40.2 mg/L, retained 65% of its initial capacity after five regeneration cycles, and showed low Fe and Mg leaching of 0.25 and 0.13 mg/L, respectively. The estimated production cost was 1.60 USD/kg. A conceptual process integration was further proposed, providing a cost-effective pathway for sludge valorization and closed-loop phosphorus recovery from sidestreams.
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HYDROMETALLURGY
·
2026
·
IF 6.3
Junjie Xiang,Xiaozhou Zhou,Jialin Qing,Wenjuan Guan,Xinsheng Wu,Mingyu Wang,Qinggang Li,Zuoying Cao,Guiqing Zhang,Shengxi Wu
MSL255 was synthesized as a pyridyl ligand for Ni/Co extraction. • D2EHPA–MSL255 gave β(Ni/M) > 249 and β(Co/M) > 41 over impurities. • Over 99% of Ca, Mg and Mn was removed with minimal Ni loss. • Co and Ni were stepwise stripped at different acidities. • FT-IR, MS and DFT revealed selective Ni/Co coordination. Complex acidic Ni/Co liquors from low-grade ores and secondary resources usually contain abundant impurity cations, making selective Ni/Co enrichment highly challenging. Industrial routes for producing mixed sulfide precipitate (MSP) or mixed hydroxide precipitate (MHP) are technically mature, but often suffer from long flowsheets, Ni/Co losses, and impurity-rich intermediates requiring further purification. Direct solvent extraction offers a promising alternative owing to its high selectivity, efficient separation, and easy automation. However, conventional acidic organophosphorus extractants, such as D2EHPA, PC-88 A, and Cyanex 272, suffer from limited Ni/Co selectivity due to severe impurity co-extraction. Moreover, some reported synergistic systems remain constrained by insufficient acid resistance, limited loading capacity, or poor industrial applicability. To address these issues, a neutral ligand, MSL255, integrating two pyridyl groups with a hydrophobic aromatic ether framework, was designed and synthesized. When combined with D2EHPA, the optimized formulation provides pronounced synergistic enhancement, yielding synergistic factors (SF) of 87.2 for Ni(II) and 23.3 for Co(II), while impurity ions exhibit SF < 1. Correspondingly, the separation factors (β) reach β(Ni/M) > 249 and β(Co/M) > 41. The system removes more than 99% of Ca, Mg, and Mn with minimal Ni loss, and displays a clear stepwise stripping sequence in which Co is released at lower acidity whereas Ni requires higher acidity for complete stripping. Spectroscopic characterization together with DFT/ESP analysis confirms that MSL255 stabilizes Ni/Co–extractant adducts while weakening the coordination of impurity ions, thereby enhancing selectivity. Overall, the D2EHPA–MSL255 system provides a low-acidity, high-selectivity strategy for Ni/Co enrichment from Ca–Mg–Mn sulfate media.
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DESALINATION
·
2026
·
IF 9.9
Yaoxian Hu,Binbin Zhou,Xinyu Xiao,Hui Su,Wensen Liu,Zhaowu Zhu,Tao Qi
Dual roles of electronic effect and steric hindrance in NOPs are decoupled. • A structure-performance paradox in linear and branched NOPs is revealed. • The intrinsic Li + /Mg 2+ micro-solvation divergence (CIP vs. SSIP) is uncovered. • A dual-parameter model is established to predict extraction capacity and selectivity. This study proposes a synergistic electronic effect and steric hindrance regulation mechanism in neutral organophosphate-extraction systems targeting efficient Li and Mg extraction from salt lake brines. Using tributyl phosphate (TBP), tripentyl phosphate (TAP), and triisoamyl phosphate (TIAP) as model extractants, we decoupled the dual roles of linear-chain elongation and branching in alkyl chain structures. The former enhances the P O electron density and intrinsic Li + affinity via the positive inductive effect, whereas branched structures govern the selectivity via steric hindrance. Combined molecular dynamics (MD) simulations and density functional theory (DFT) calculations revealed that Li + forms a compact four-coordinate contact-ion pair (CIP, [Li·2L·H 2 O·TFSI]), whereas Mg 2+ exists as a bulky six-coordinate solvent-separated ion pair (SSIP, [Mg·4L·2H 2 O] 2+ ). This difference considerably amplifies steric sieving. Specifically, the bulky branched chains of TIAP impose a severe conformational energy penalty (97.5 kJ/mol) on the crowded Mg 2+ shell, strongly suppressing Mg 2+ coordination. Consequently, the extraction efficiency of TIAP is comparatively low in pure Li + systems (60.5%) but surges to 83% in high-Mg backgrounds under the synergistic action of steric Mg 2+ rejection and the Hofmeister effect, achieving a superior separation factor of 215.0. Finally, a quantitative dual-parameter model that accurately explains the extraction capacity (TAP > TBP > TIAP) and selectivity (TIAP > TAP > TBP) trends was established. This study provides deep molecular insights into Li + /Mg 2+ separation along with a robust theoretical framework for rational design of selective ligands for complex brines. Download: Download high-res image (94KB) Download: Download full-size image
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Ziming Xin,Chendao Ruan,Jing Wang,Yuejin Zhang,Jiyan Shi
Fe/Mg co-modified biochar enabled simultaneous PFAS adsorption and Cr(VI) reduction–immobilization. • Acid-washed Fe₄Mg₁-NBC showed enhanced removal, pore accessibility, and regenerability. • Experiments and DFT confirmed hierarchical pores, bimetallic sites, and interfacial synergy as key mechanisms. Simultaneous removal of per - and polyfluoroalkyl substances (PFAS) and hexavalent chromium (Cr(VI)) from water remains challenging because of their divergent adsorption, redox, and interfacial behaviors. Herein, Fe/Mg co-modified N-doped biochar (Fe₄Mg₁-NBC) was fabricated through a hydrothermal synthesis strategy followed by pyrolysis and acid washing for the synergistic remediation of PFAS/Cr(VI) co-contaminated water. The optimized Fe/Mg ratio regulated the pore architecture and surface chemistry, producing a hierarchically porous, partially graphitized carbon matrix enriched with oxygen-containing groups and highly dispersed Fe–O/Mg–O active sites. Fe₄Mg₁-NBC exhibited superior removal performance toward PFOA, PFOS, PFBA, PFBS, and Cr(VI) in both single-solute and binary systems, with favorable adsorption under weakly acidic conditions and moderate temperatures. Acid washing further improved performance by eliminating inactive residues, opening blocked pores, and exposing additional active sites, while more than 90% of the initial adsorption efficiency was retained after five regeneration cycles. XPS analysis revealed Fe 2+ /Fe 3+ transformation and Metal–F interactions, indicating that Cr(VI) removal proceeded through Fe-mediated reduction followed by Cr(III) immobilization, whereas PFAS uptake involved electrostatic attraction, coordination, hydrophobic interaction, and pore filling. DFT calculations further demonstrated that Fe/Mg co-doping markedly enhanced PFAS adsorption affinity, decreasing the adsorption energy from +0.43 eV on pristine biochar to −1.24 eV on Fe/Mg-NBC. Co-adsorption configurations also suggested that Fe and Mg sites provided complementary functions for Cr(VI) activation and PFAS stabilization in mixed systems. These findings establish Fe₄Mg₁-NBC as a reusable multifunctional adsorbent for efficient treatment of PFAS/Cr(VI)-contaminated water. Download: Download high-res image (167KB) Download: Download full-size image
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RENEWABLE ENERGY
·
2026
·
IF 9.1
Hanyuan Lv,Ruojiang Liu,Yi Fan,Ruolin Zhao,Jun Li,Feifan Hong,Haizhen Liu,Jin Guo,Zhiqiang Lan
Due to their large specific surface area and high porosity, porous carbon materials have emerged as a prominent research focus in the field of hydrogen storage. In this study, nanoporous carbon-coated V 2 O 3 nanorods (p-V 2 O 3 /C) were synthesized through high-temperature calcination under a gas mixture using a vanadium metal-organic framework (V-MOF) as a precursor, aimed at enhancing the hydrogen storage performance of MgH 2 . The incorporation of p-V 2 O 3 /C significantly reduced both the initial dehydrogenation temperature and the activation energy for dehydrogenation of MgH 2 to 192 °C and 88.6 kJ∙mol −1 , respectively. Notably, catalytic MgH 2 can desorb 5.35 wt% hydrogen even at a low temperature of 225 °C over a duration of 75 min, with an impressive capacity retention rate of 98.5% after 30 cycles of hydrogen absorption/release. The proposed catalytic mechanism indicates that the presence of metals such as V, VO, V 2 O 3 , and MgO in the composite system formed by p-V 2 O 3 /C with ball-milled MgH 2 serves to reduce the Mg-H bond strength, thereby facilitating easier dehydrogenation of MgH 2 . Additionally, incorporating MgO can stabilize the crystal interface of MgH 2 while impeding particle growth and enhancing its dehydrogenation process. In this work, the multiphase composite system based on p-V 2 O 3 /C has improved the kinetic performance for hydrogen storage in MgH 2 .
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