APPLIED CATALYSIS B-ENVIRONMENTAL
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2024
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IF 20.2
Hui Li,Li Du,Ying Zhang,Xu Liu,Shuang Li,Chun Cheng Yang,Qing Jiang
The rational construction of high-efficiency transition metal phosphides catalysts for hydrogen evolution reaction (HER) is crucial since their sluggish kinetics of water dissociation remain severe barriers for HER performance. The theoretical calculations indicate a unique adsorption-diffusion-decomposition mechanism for H 2 O molecules on CoP (111) surface. Herein, Fe could decrease H 2 O decomposition barrier energies and increase the amount of active sites, along with Cr could accelerate H 2 O adsorption, diffusion and increase the conductivity of the reaction surface. Aided by this mechanism, a self-supported electrode of Cr and Fe dual-doped CoP nanorod arrays grown on nickel foam was prepared. The electrode only requires an overpotential of 27 mV at 10 mA cm −2 for alkaline HER with excellent durability for 400 h. Moreover, the catalyst presents only 1.505 V at 10 mA cm −2 for alkaline water electrolysis. This work provides an in-depth understanding on catalytic mechanism of CoP-based materials.
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GREEN CHEMISTRY
·
2025
·Vol. 27
·期 8
·2276-2285
·
IF 9.2
Lixia Wang,Jiasui Huang,Jia Huang,Bowen Yao,Aling Zhou,Zhiyang Huang,Tayirjan Taylor Isimjan,Bao Wang,Xiulin Yang
Zinc–air batteries (ZABs) are considered a promising energy storage technology due to their high energy density and environmental friendliness. However, the development of efficient and durable oxygen reduction reaction (ORR) catalysts remains a challenge. Herein, we report the synthesis of a highly efficient CoP/Cu3P@NC catalyst using a Zn-MOF template, which was transformed into N- and C-doped bimetallic phosphides via high-temperature phosphating. The CoP/Cu3P@NC-based ZAB exhibits remarkable performance with an open-circuit voltage of 1.50 V, a peak power density of 215 mW cm−2, and a specific capacity of 691 mA h gzn−1, outperforming conventional Pt/C-based ZABs. The catalyst maintained 93.5% of its initial activity after 300 h of cycling, demonstrating its excellent long-term stability. Furthermore, CoP/Cu3P@NC was applied in flexible ZABs, achieving a power density of 74 mW cm−2 and showing stable performance under various bending conditions. The superior performance is attributed to the synergistic effects of Co and Cu, optimized structural properties, and high porosity, enhancing mass transfer and oxygen activation. These results suggest that CoP/Cu3P@NC is a highly promising ORR catalyst for next-generation ZABs, offering both high efficiency and durability in flexible and conventional energy storage applications.
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SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Bingyao Huang,Fei Wang,Hongyan Li,Yuan Li,Kai Li
Efficient resourceful treatment of phosphine tail gas is a huge challenge. In this study, a series of cobalt nanoparticles embeded in porous carbon (Co@C) catalysts were obtained via pyrolysis of Co-based MOF as precursor for catalytic decomposition of phosphine (PH 3 ) by regulating the ratio of reactants of MOFs. The composition, morphology and structure of the catalysts were characterized by inductively coupled plasma, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and BET measurement. The effect of Co@C catalysts with different reactant ratio on the catalytic decomposition of PH 3 was tested, and the catalysts before and after the reaction were compared. It was found that the catalyst with MOF as the precursor after pyrolysis can still retain the porosity and large specific surface area of MOF. The metal cobalt nanoparticles and its oxides can be uniformly distributed in time under high loading, which is conducive to the reaction with phosphine to form metal phosphide (CoP), and the rapid and efficient decomposition of PH 3 was completed under the synergistic effect of the two kinds of active sites of Co and CoP. The best catalytic decomposition efficiency is Co@C-5 catalyst, which can achieve 100 % decomposition efficiency at 350 °C and has good stability.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2024
·
IF 9.4
Boyuan Liu,Peng Zhao,Zongdeng Wu,Cai Liu,Haiyan Jing,Juanjuan Song,Keren Lu,Wu Lei,Qingli Hao
The exploration of bifunctional catalyst with economic, durable, and efficient performance plays a crucial role to boost both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in overall water splitting. Herein, we report a feasible strategy to design effective heterostructure between CoP and Ti 3 C 2 T x MXene (denoted as CoP/Ti 3 C 2 T x ). This approach allows for the growth of CoP nanoparticles with uniform size of 5 nm on the Ti 3 C 2 T x MXene, further enhancing the water electrolysis efficiency. The CoP/Ti 3 C 2 T x bifunctional catalyst demonstrates an exceptional HER activity with a satisfactory overpotential of 103 mV at 10 mA cm −2 , and also can drive 10 mA cm −2 for OER with the overpotential of 312 mV in 1.0 M KOH. Moreover, the CoP/Ti 3 C 2 T x -based electrolyzer exhibits high electrochemical stability for 24 h with a low required voltage of 1.66 V at 10 mA cm −2 . The density functional theory (DFT) calculations reveal that the introduction of Ti 3 C 2 T x MXene significantly adjusts d-band center towards Fermi level and expand total density of states, resulting in great electrical conductivity, enhanced water adsorption, and activation. This study provides an available mode for effective design and construction of non-noble-metal-based dual-functional catalyst toward practical energy conversion.
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ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2019
·
IF 7.149
Huiling Liu,Jinglong Han,Jili Yuan,Chengbin Liu,Dong Wang,Tian Liu,Meijun Liu,Jinming Luo,Aijie Wang,John C. Crittenden
Efficient elimination of antibacterial activity of halogenated antibiotics by dehalogenation pretreatment is desired for a biochemical treatment process. In this study, crystalline cobalt phosphide nanosheet arrays on a Ti plate (C-CoP/Ti) are fabricated by a simple electrodeposition and phosphorization process. The crystalline structure greatly promotes atomic hydrogen (H*) generation. Moreover, the nanosheet arrays can provide abundant active sites and accelerate electron transfer and mass transport. As a result, the dehalogenation rate of florfenicol (FLO, an emerging organic pollutant) on C-CoP/Ti is 11.1, 2.97, and 13.6 times higher than that on amorphous CoP/Ti, Pd/Ti, and bare Ti, respectively. The C-CoP/Ti electrode achieves 97.4% dehalogenation of FLO (20 mg L–1) within 30 min at −1.2 V (vs Ag/AgCl). Nearly 100% of Cl and 20% of F are broken away within 120 min, showing the highest electrocatalytic defluorination efficiency reported so far. Both experimental results and theoretical calculations reveal that the dehalogenation of FLO on C-CoP/Ti is synergistically accomplished via direct reduction of electron transfer and indirect reduction of H*. This study develops a highly efficient non-noble metal electrode material for dehalogenation of halogenated organic compounds.
研究领域:
环境科学
·
材料科学
·
化学
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Green Energy & Environment
·
2026
·
IF 16.7
Zhen Zhang,Kang Zhou,Xinru Zhao,Armin Rezayan,Dan Wu,Qianli Ma,Zongwu Zhang,Jianshe Wang,Xinqing Chen,Chunbao Xu,Yongsheng Zhang
Water can dissociate on the CoP shell with the formation of H - -Co δ+ -P-O-H + intimate metal-acid sites. • Intimate metal-acid bifunctional sites effectively catalyze the hydrodeoxygenation of furfural to 2-methylfuan. • Brønsted acid sites promote hydrolysis and ring-opening hydrogenolysis of 2-methylfuran to yield 1,4-pentanediol. • Co@CoP catalyst exhibits excellent stability and high activity for the hydrodeoxygenation of various biomass-derived feedstocks. Transition metal phosphides represent promising metal-acid bifunctional catalysts for hydrogenation reactions. However, the origin of the acidity of metal phosphides and their synergistic effects with metallic sites remain poorly understood. Herein, a highly efficient core-shell Co@CoP catalyst prepared via controlled phosphidation of cobalt carbonate was developed for the one-pot transformation of furfural to 1,4-pentanediol. The metallic Co core accelerates active hydrogen transfer, while the CoP shell enables water dissociation to form intimate H - –Co δ+ –P–O–H + metal-acid sites. While the metal-acid bifunctional sites synergistically catalyze the efficient hydrodeoxygenation of furfural to 2-methylfuran intermediate, the Brønsted acid sites on CoP further selectively activate the C–O–C bond of 2-methylfuran, facilitating hydrolysis and ring-opening hydrogenolysis. A 1,4-pentanediol yield of 92.2% is achieved under mild conditions, with excellent cycling stability and applicability for various biomass-derived feedstocks. The disclosed water-engineered Brønsted acidity over metal phosphides provides a fundamental basis for the rational design of bifunctional catalysts for biomass valorization. Co@CoP catalyst enables water dissociation to form intimate H - –Co δ+ –P–O–H + metal-acid sites. While the metal-acid bifunctional sites synergistically catalyze the efficient hydrodeoxygenation of furfural to 2-methylfuran intermediate, the Brønsted acid sites on CoP further selectively activate the 2-methylfuran, facilitating hydrolysis and ring-opening hydrogenolysis. Download: Download high-res image (277KB) Download: Download full-size image
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APPLIED CATALYSIS B-ENVIRONMENTAL
·
2026
·
IF 19.7
Muhammad Rafiq,Sami Ur Rahman,Wenjuan Xu,Shehna Farooq,Jiangyan Dang,Muhammad Saad,Omme Habiba Abbasi,Adel Al-Salihy,Wenliang Li,Jingping Zhang
Fe@CoP-NSs/CP is synthesized and shows superior OER activity (272 mV at 10 mA cm⁻²). • DFT reveals Fe doping optimizes the d -band center (-1.92 eV) and adsorption energetics of Fe@CoP-NSs/CP. • DHS-OPM on Fe-Co sites of Fe@CoP-NSs/CP achieves a low overpotential of 0.35 V, outperforming AEM. • Fe@CoP-NSs/CP exhibits excellent stability over 30 h tested by chronoamperometry. • Machine learning identifies TM-OOH* and RDS as key predictors of catalytic efficiency (ROC-AUC up to 0.99). The oxygen evolution reaction (OER) remains a critical bottleneck for efficient oxygen production via water splitting due to its sluggish kinetics and high overpotential. Herein, we systematically investigated the OER mechanism on 3d transition metal-doped (Iron, Nickle, and Manganese) and pristine cobalt phosphide nanosheet carbon paper supported (Fe@CoP-NSs/CP, Ni@CoP-NSs/CP, Mn@CoP-NSs/CP, and CoP-NSs/CP) through a density functional theory (DFT) and experimental approach. The DFT calculations reveal that doping modulates the electronic structure of Fe@CoP-NSs/CP among the investigated systems exhibiting a d-band center closest to the Fermi level (-1.92 eV), leading to optimized adsorption energetics for key intermediates. Mechanistic mapping identifies the Dual Hetero-Site Oxide Path Mechanism (DHS-OPM) as the dominant pathway. In this mechanism, Fe-Co bimetallic sites achieve a remarkably low overpotential of 0.35 V, significantly outperforming the Adsorbate Evolution Mechanism (AEM). Experimentally, Fe@CoP-NSs/CP shows superior OER activity with an overpotential of 272 mV at 10 mA cm −2 and a Tafel slope of 47.4 mV dec −1 , with excellent stability over 30 h. Furthermore, supervised machine learning identifies TM-OOH* and rate-determining step (RDS) energies as the key predictors of catalytic efficiency, achieving ROC-AUC values up to 0.99. This work establishes a DFT-driven mechanistic framework, demonstrating that Fe@CoP-NSs/CP provides a highly efficient and durable pathway for OER. Download: Download high-res image (185KB) Download: Download full-size image
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ACS Catalysis
·
2025
·
IF 13.1
Wei An,Zeyang Liu,Tongjun Shen,Yizhang Du,Cun Huang,Boyuan Duan,Chunxia Wang,Guoyong Huang,Yiming Yan,Shengming Xu
To overcome the low current-density efficiency and long-term stability issues of industrial overall water splitting at ampere-level current density, a kind of superwetting Mo-doped nanoarray anchored on nickel foam (NF) (Mo-CoP/NC) with three-dimensional (3D) nanoflower structure is constructed. The incorporation of Mo species induces thermoneutral hydrogen adsorption free energy and creates favorable empty d-orbitals, which enhances the d–p hybridization of Co–O bonds, thereby accelerating the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) kinetics in alkaline media. The optimized Mo-CoP/NC exhibits exceptional electrocatalytic performance, requiring low overpotentials of 198 mV for HER and 384 mV for OER at a current density of 1000 mA cm–2 and achieving maintains robust operation in overall water splitting at 3000 mA cm–2. When employed as a bifunctional catalyst in an alkaline electrolyzer, a cell voltage of 1.87 V can be realized at 1000 mA cm–2 , outperforming commercial benchmarks. Density functional theory (DFT) calculations reveal that Mo doping optimizes hydrogen adsorption energy and reduces energy barriers for water dissociation. The superwetting surface ensures rapid gas bubble detachment and efficient active site regeneration, while N-doped carbon encapsulation endows long-term stability with negligible activity decay over 100 h of continuous operation.
研究领域:
材料科学
·
能源化学
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APPLIED SURFACE SCIENCE
·
2026
·
IF 6.9
Hui Tang,Xiaobao Chen,Zonghan Huang,Meng Liu,Xiaoping Li,Lanxuan Wen,Yu Liu,Rongwei Li,Songjun Guo,Rongzhi Chen
Inefficiency in photogenerated charge separation, especially within the in-plane heptazine units of widely used carbon nitride semiconductors, severely restricts photocatalytic H 2 evolution. Herein, a dual electric field was constructed in a novel C 3 N 4 /C 3 N 5 /CoP (CNHJ- X /CoP) composite via the synergistic integration of a C 3 N 4 /C 3 N 5 homojunction and a C 3 N 5 /CoP Schottky junction. The optimized CNHJ-5/CoP exhibits a photocurrent density 7.5 times higher than that of pure C 3 N 5 , along with a hydrogen evolution rate of 1878 μmol·g −1 ·h −1 (apparent quantum efficiency = 14.1% at 400 nm), which is 24.5% higher than that of C 3 N 5 /CoP binary composite. X-ray photoelectron spectroscopy, density functional theory calculations, and charge dynamics characterization collectively confirm that the dual electric field enhances the in-plane charge separation efficiency within the C 3 N 5 heptazine units and facilitates the directional transfer of photoelectrons from C 3 N 5 to both C 3 N 4 and CoP. Specifically, the homojunction promotes the retention of more holes in C 3 N 5 for reaction with triethanolamine, while the Schottky junction accelerates electron transfer to CoP for H 2 evolution, thereby driving the forward reaction. This work provides new insights into the design of advanced dual-electric-field systems for enhancing charge separation in two-dimensional nanosheets, thereby boosting photocatalytic H 2 evolution.
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ACS Applied Nano Materials
·
2025
·
IF 5.5
Hao Ren,Yi Cao,Tianjiao Ling,Junli Zhu,Jifang Xu,Minqi Sheng
Even though cobalt monophosphide (CoP) has been recognized as a prospective alternative to noble metal-based electrocatalysts in alkaline water splitting, further enhancement of the catalytic activity and durability of CoP in the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) requires precise manipulation of its nanoscale spatial architecture and surface electronic structure. Herein, tremella-like Pt, B-codoped CoP nanostructures were successfully anchored on carbon cloth (Pt–B–CoP/CC) through a successive process involving wet chemical deposition, surface Pt impregnation, and phosphorization. The resultant Pt–B–CoP/CC exhibits excellent catalytic activity for both HER and OER, primarily attributed to (i) high-density active sites, (ii) enhanced surface conductivity, and (iii) appropriately modulated electronic structure via Pt, B codoping. In addition, Pt–B–CoP/CC exhibits superaerophobicity, enabling the maintenance of efficient exposure of active sites during electrolysis. In an alkaline medium (1.0 M KOH), the required overpotentials are 52.53 (at −10 mA cm–2) for HER and 224.37 mV (at 10 mA cm–2) for OER, which outperform most of the reported transition metal-based bifunctional catalytic electrode materials. The constructed Pt–B–CoP/CC||Pt–B–CoP/CC cell requires an ultralow cell voltage of 1.51 V (1.74 V) to drive a current density of 10 mA cm–2 (100 mA cm–2). After 100 h of continuous electrolysis, the cell voltage increment is almost negligible at 10 mA cm–2, while at 100 mA cm–2 it increases by only 1.97%, demonstrating the tremendous durability of Pt–B–CoP/CC and its potential applicability in industrial-grade electrolyzers. This study provides inspiration for designing and synthesizing advanced multifunctional catalytic electrodes with high efficiency and long-term stability.
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CHEMISTRY-A EUROPEAN JOURNAL
·
2023
·Vol. 29
·期 56
·e202301521
·
IF 4.3
Luoluo Qi,Zhiyang Huang,Miao Liao,Lei Wang,Lixia Wang,Mingcheng Gao,Tayirjan Taylor Isimjan,Xiulin Yang
Graphical A CoP−FeP heterostructure catalyst with abundant P vacancies (Vp−CoP−FeP/NF) on nickel foam is constructed through impregnation and phosphorization. It demonstrates excellent hydrogen evolution performance and has practical application prospects in high-current overall water splitting. The catalyst‘s unique hierarchical nanosheet structure, plentiful P vacancies and synergistic effect of CoP and FeP accelerate HER kinetics, resulting in its superior performance. The development of hydrogen evolution reaction (HER) catalysts with high performance under large current density is still a challenge. Introducing P vacancies in heterostructure is an appealing strategy to enhance HER kinetics. This study investigates a CoP−FeP heterostructure catalyst with abundant P vacancies (Vp−CoP−FeP/NF) on nickel foam (NF), which was prepared using dipping and phosphating treatment. The optimized Vp−CoP−FeP catalyst exerted prominent HER catalytic capability, requiring an ultra-low overpotential (58 mV @ 10 mA cm −2 ) and displaying robust durability (50 h @ 200 mA cm −2 ) in 1.0 M KOH solution. Furthermore, the catalyst demonstrated superior overall water splitting activity as cathode, demanding only cell voltage of 1.76 V at 200 mA cm −2 , outperforming Pt/C/NF (−) || RuO 2 /NF (+) . The catalyst‘s outstanding performance can be attributed to the hierarchical structure of porous nanosheets, abundant P vacancies, and synergistic effect between CoP and FeP components, which promote water dissociation and H* adsorption and desorption, thereby synergically accelerating HER kinetics and enhancing HER activity. This study demonstrates the potential of HER catalysts with phosphorus-rich vacancies that can work under industrial-scale current density, highlighting the importance of developing durable and efficient catalysts for hydrogen production.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2023
·
IF 9.9
Yihua Cao,Xueli Yin,Yonghao Gan,Ying Ye,Run Cai,Bo Feng,Qi Wang,Xiaoping Dai,Xin Zhang
Designing bifunctional electrocatalysts with high efficiency and low cost for water splitting is urgently required for the production of green hydrogen. Herein, a bifunctional iron-doped cobalt borate/cobalt phosphide hybrid supported on nickel foam (Fe-CoB i /CoP/NF) was fabricated via hydrothermal and phosphating process. Benefit from the unique nanoneedle architecture for faster mass transfer, the existence of borate on CoB i for accelerating proton transfer , the moderate adsorption of H* species on CoP, Fe doping and the synergistic effect between CoB i and CoP, Fe-CoB i /CoP/NF hybrid exhibits a low overpotential of 137 mV and 260 mV at 100 mA cm −2 for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively. Moreover, Fe-CoB i /CoP/NF||Fe-CoB i /CoP/NF also presents a low cell potential of 1.65 V@100 mA cm −2 for overall alkaline water splitting and excellent durability (128 h) without decay. This work provides a new insight into the design of bifunctional electrocatalysts simultaneously through the morphological engineering and heteroatomic doping.
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