International Journal of Hydrogen Energy最新文献

筛选
英文 中文
In-situ synthesis of hexagonal SnS2 on 2D layered Ti3C2Tx/g-C3N4 nano-heterostructures for enhanced photocatalytic H2 generation via water splitting and HER applications 在二维层状Ti3C2Tx/g-C3N4纳米异质结构上原位合成六方SnS2以增强水裂解光催化制氢和HER应用
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-28 DOI: 10.1016/j.ijhydene.2026.156241
Amol B. Tambe, Satish K. Pardeshi
{"title":"In-situ synthesis of hexagonal SnS2 on 2D layered Ti3C2Tx/g-C3N4 nano-heterostructures for enhanced photocatalytic H2 generation via water splitting and HER applications","authors":"Amol B. Tambe,&nbsp;Satish K. Pardeshi","doi":"10.1016/j.ijhydene.2026.156241","DOIUrl":"10.1016/j.ijhydene.2026.156241","url":null,"abstract":"<div><div>The successful in-situ hydrothermal synthesis of 2D Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub>/g-C<sub>3</sub>N<sub>4</sub>/SnS<sub>2</sub> nano-heterostructures with different Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub>:g-C<sub>3</sub>N<sub>4</sub> ratios is demonstrated in this work. These structures were then assessed as photocatalytic for hydrogen production using water splitting and hydrogen evolution studies. To verify the creation and characteristics of the nano-heterostructures, a number of characterisation techniques were used. The XRD examination confirmed the effective synthesis of Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub>/g-C<sub>3</sub>N<sub>4</sub>/SnS<sub>2</sub> nano-heterostructures by revealing diffraction peaks corresponding to Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub>, g-C<sub>3</sub>N<sub>4</sub>, and SnS<sub>2</sub>. The creation of 2D nano-heterostructures was further confirmed by the FE-SEM, HR-TEM, and XPS, which revealed layered structures of MXene, hexagonal nanosheets of SnS<sub>2</sub>, and nanosheets of g-C<sub>3</sub>N<sub>4</sub>. The coexistence of Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub>, g-C<sub>3</sub>N<sub>4</sub>, and SnS<sub>2</sub> in the nano-heterostructures was revealed by the high-resolution TEM images and selected area electron diffraction (SAED) patterns. With band gaps ranging from 2.11 to 2.70 eV, the optical characteristics of the nano-heterostructures demonstrated absorption in the visible light spectrum. With the exception g-C<sub>3</sub>N<sub>4</sub>, all compositions showed band-edge emission in the 471-495 nm range in the photoluminescence (PL) spectra. Significantly exceeding other compositions, the TSC-75% nano-heterostructure showed the highest photocatalytic hydrogen generation of about 2960.4 μmol/0.1g along with an outstanding apparent quantum yield of 4.8%. The TSC-75% has a low overpotential value of 92.2 mV and an excellent Tafel slope of 109.7 mV.dec<sup>−1</sup> in a 1 M KOH electrolyte at a current density of −10 mA cm<sup>−2</sup>.The electrochemical double layer capacitance of TSC-75% (14.12 mFcm<sup>−2</sup>) was found to be 3.9 times higher than Ti<sub>3</sub>C<sub>2</sub>T<sub><em>x</em></sub> (3.57 mFcm<sup>−2</sup>), 13.8 times higher than g-C<sub>3</sub>N<sub>4</sub> (1.02 mFcm<sup>−2</sup>), and 1.5 times higher than SnS<sub>2</sub> (9.41 mFcm<sup>−2</sup>). The potential for HER reduction is increased by the in-situ growing SnS<sub>2</sub> nanoplates because they enhance hydrogen adsorption active sites, promote charge transfer, and help establish electrochemical stability up to 30 h. Electrochemical impedance spectroscopy, steady state PL spectroscopy, and time resolved PL decay kinetics all validate the successful electron transport mechanism at the TSC-75% interface. These results imply that photocatalytic effectiveness can be greatly increased by designing 2D nano-heterostructures with optimum composition.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156241"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Construction of all-solid-state Z-scheme CdZnS/CNT/CuCo2S4 heterojunction for enhanced photocatalytic hydrogen production and tetracycline degradation 全固态Z-scheme CdZnS/CNT/CuCo2S4异质结的构建促进光催化制氢和四环素降解
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-28 DOI: 10.1016/j.ijhydene.2026.156213
Yuqi Wang, Yu Li, Kaige Huang, Mengmeng Ma, Zhanwei Shen, Aiwei Tang, Xiaomin Dou, Shizhong Yue, Zhijie Wang
{"title":"Construction of all-solid-state Z-scheme CdZnS/CNT/CuCo2S4 heterojunction for enhanced photocatalytic hydrogen production and tetracycline degradation","authors":"Yuqi Wang,&nbsp;Yu Li,&nbsp;Kaige Huang,&nbsp;Mengmeng Ma,&nbsp;Zhanwei Shen,&nbsp;Aiwei Tang,&nbsp;Xiaomin Dou,&nbsp;Shizhong Yue,&nbsp;Zhijie Wang","doi":"10.1016/j.ijhydene.2026.156213","DOIUrl":"10.1016/j.ijhydene.2026.156213","url":null,"abstract":"<div><div>Simultaneous achievement of green hydrogen production and pollutant removal is an attractive approach for mitigating energy scarcity and environmental pollution. This work successfully constructed an all-solid-state CdZnS/CNT/CuCo<sub>2</sub>S<sub>4</sub> Z-scheme heterojunction <em>via</em> a combined hydrothermal and solvent evaporation approach, enabling highly efficient bifunctional photocatalytic performance in hydrogen production and tetracycline removal. Benefiting from visible light excitation, the tailored CdZnS/CNT/CuCo<sub>2</sub>S<sub>4</sub> heterostructure delivered an outstanding photocatalytic H<sub>2</sub> generation activity, as high as 10.29 mmol g<sup>−1</sup> h<sup>−1</sup>. The catalytic performance was 3.3 times superior to pristine CdZnS. Moreover, it achieved 92.3% degradation of tetracycline within 30 min. The boosted photocatalytic performance originates from the Z-type charge transmission pathway supported by CNT electron bridges, significantly promoting carrier separation and transport. Excited electrons in CdZnS reduce water to produce hydrogen, while the holes in CuCo<sub>2</sub>S<sub>4</sub> degrade tetracycline. This study paves a rational pathway for the fabrication of Z-scheme heterojunction photocatalysts that employ carbon nanotubes as electron mediators.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156213"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Probabilistic techno-economic analysis of blue hydrogen production under natural gas price and capital cost index uncertainty 天然气价格和资本成本指数不确定性下蓝色制氢的概率技术经济分析
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-27 DOI: 10.1016/j.ijhydene.2026.156268
Dong Guk Kim, Yoo Ri Kim, Dong Hwi Jeong
{"title":"Probabilistic techno-economic analysis of blue hydrogen production under natural gas price and capital cost index uncertainty","authors":"Dong Guk Kim,&nbsp;Yoo Ri Kim,&nbsp;Dong Hwi Jeong","doi":"10.1016/j.ijhydene.2026.156268","DOIUrl":"10.1016/j.ijhydene.2026.156268","url":null,"abstract":"<div><div>Blue hydrogen is attracting attention as a practical low-carbon pathway, but its economic viability remains uncertain, especially in small-scale processes where feedstock and equipment costs strongly affect performance. The long-term economic effects of time-varying external variables have not been fully explored. Here, using Aspen Plus simulation, time-series forecasting, and Monte Carlo simulation, we develop a probabilistic techno-economic framework that incorporates natural gas price and the chemical engineering plant cost index (CEPCI). The natural gas price was modeled using a mean-reverting autoregressive model, and the CEPCI using a break-point autoregressive model. These forecasts were integrated with process simulation results to estimate levelized cost of hydrogen distributions and screen operating conditions using P50, P95, and conditional value at risk (CVaR). The framework enables operating conditions to be evaluated based on both expected cost performance and upper-tail cost risk under uncertain future market conditions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156268"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimizing demand-side management in smart grid with renewable energy sources using SBOA-QCGNN approach 基于SBOA-QCGNN方法的可再生能源智能电网需求侧管理优化
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-26 DOI: 10.1016/j.ijhydene.2026.155737
Haewon Byeon, M.S.Sivagama Sundari
{"title":"Optimizing demand-side management in smart grid with renewable energy sources using SBOA-QCGNN approach","authors":"Haewon Byeon,&nbsp;M.S.Sivagama Sundari","doi":"10.1016/j.ijhydene.2026.155737","DOIUrl":"10.1016/j.ijhydene.2026.155737","url":null,"abstract":"<div><div>Smart grids have transformed current energy markets, allowing users to participate in demand response programs, yet users struggle due to low awareness. The proposed approach combines the SBOA and QCGNN, which is termed the SBOA-QCGNN technique. The primary goals of the proposed approach are to lower carbon emissions, lower power bill costs, and lessen load profile variation. The SBOA is utilized to optimize consumers' energy consumption, while QCGNN is used to predict electricity produced by RES. The proposed technique is evaluated and compared to existing techniques using the MATLAB platform. The proposed technique determines superior results compared to existing methods like PSO, GWO, and GA. The proposed strategy achieves a cost of 10$, a 10.5% reduction in carbon emissions, a PAR of 3.04, and a computation time of 1.41 s, showing better performance than existing methods. This approach offers a solution improving economic and environmental sustainability, enabling efficient energy management.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 155737"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental and numerical study on the explosion characteristics of CO/H2 mixtures with trace Cl2 and HCl addition 添加微量Cl2和HCl的CO/H2混合物爆炸特性的实验和数值研究
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-28 DOI: 10.1016/j.ijhydene.2026.156232
Xing Liu, Quanbin Ren, Yuanqi Bai, Yitong Wang
{"title":"Experimental and numerical study on the explosion characteristics of CO/H2 mixtures with trace Cl2 and HCl addition","authors":"Xing Liu,&nbsp;Quanbin Ren,&nbsp;Yuanqi Bai,&nbsp;Yitong Wang","doi":"10.1016/j.ijhydene.2026.156232","DOIUrl":"10.1016/j.ijhydene.2026.156232","url":null,"abstract":"<div><div>This study investigated the effects of N<sub>2</sub>-diluted Cl<sub>2</sub> and HCl on the explosion characteristics and lower flammability limit (LFL) of CO/H<sub>2</sub> mixtures through experiments and numerical simulations. The experimental results indicated that under fuel-rich conditions, the HCl group exhibited a stronger inhibitory effect on combustion than the Cl<sub>2</sub> group, whereas the opposite was true under fuel-lean and high chlorine loading conditions. Both Cl<sub>2</sub> and HCl significantly increased the lower flammability limit of the syngas, and the extent of this increase was comparable. Kinetic analysis and CFD simulations revealed that Cl<sub>2</sub> promoted early ignition and exacerbated cellular instability in the flame front, yet was constrained by thermodynamic limitations at low equivalence ratios; in contrast, the early-promoting effect of HCl was negligible, and its chemical suppression effect remained dominant throughout. Furthermore, a sensitivity analysis of the laminar flame speed at the LFL was conducted to identify the key suppression reactions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156232"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive analysis of on-sun catalytic reforming of methane with a hydroxyapatite-supported nickel catalyst in a tubular solar reactor 管式太阳能反应器中羟基磷灰石负载镍催化剂催化重整甲烷的综合分析
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-28 DOI: 10.1016/j.ijhydene.2026.156212
Srirat Chuayboon, Ratikorn Kulporm, Sompong O-Thong, Doan Pham Minh, Stéphane Abanades
{"title":"Comprehensive analysis of on-sun catalytic reforming of methane with a hydroxyapatite-supported nickel catalyst in a tubular solar reactor","authors":"Srirat Chuayboon,&nbsp;Ratikorn Kulporm,&nbsp;Sompong O-Thong,&nbsp;Doan Pham Minh,&nbsp;Stéphane Abanades","doi":"10.1016/j.ijhydene.2026.156212","DOIUrl":"10.1016/j.ijhydene.2026.156212","url":null,"abstract":"<div><div>Methane reforming offers a suitable pathway for greenhouse gas utilization, but its implementation is hindered by catalyst deactivation due to carbon deposition and thermal sintering. This study shows that hydroxyapatite serves as a stable catalytic support for solar-driven dry, steam, and dual reforming. The influence of oxidizer type and concentration (H<sub>2</sub>O, CO<sub>2</sub>, H<sub>2</sub>O/CO<sub>2</sub> mixture) is experimentally investigated at 800 °C in a tubular solar reactor. A hydroxyapatite-supported nickel catalyst (Ni/HA) achieves methane conversion exceeding 95% with 95% H<sub>2</sub> and 96% CO selectivity. An excess of oxidant (oxidant/CH<sub>4</sub> mole ratio of 1.2-1.5) is recommended to promote CH<sub>4</sub> conversion, improve solar reactor performance, and prevent carbon formation and catalyst deactivation. Through sequential on-sun experimental runs, energy upgrade factor above 1.5 and solar-to-fuel efficiency over 20% are attained, demonstrating high catalytic performance stabilized by the metal dispersion on the support. Dual reforming exhibits the highest syngas yield and performance, with minimized carbon formation and H<sub>2</sub>/CO ratio approaching 2.0. Catalyst characterization (XRD, FTIR, SEM, TEM/EDX) confirms high thermal/chemical stability of Ni/HA under solar heating conditions. These results demonstrate compatibility of Ni/HA catalyst with solar methane reforming, providing a high-efficiency sustainable system for converting greenhouse gases into syngas.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156212"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
UV-activated, high-temperature hydrogen sensing using a single Pd/SiC@C core-shell nanowire: Synergistic enhancement via plasmonic resonance and confinement effect 使用单个Pd/SiC@C核壳纳米线的紫外线激活高温氢传感:通过等离子共振和约束效应的协同增强
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-27 DOI: 10.1016/j.ijhydene.2026.156267
Rao Zhang, Guodong Wei, Yudan Qin, Pengyue Liu, Liping Ding, Ruihong Wang, Bei Chen, Pan Wang
{"title":"UV-activated, high-temperature hydrogen sensing using a single Pd/SiC@C core-shell nanowire: Synergistic enhancement via plasmonic resonance and confinement effect","authors":"Rao Zhang,&nbsp;Guodong Wei,&nbsp;Yudan Qin,&nbsp;Pengyue Liu,&nbsp;Liping Ding,&nbsp;Ruihong Wang,&nbsp;Bei Chen,&nbsp;Pan Wang","doi":"10.1016/j.ijhydene.2026.156267","DOIUrl":"10.1016/j.ijhydene.2026.156267","url":null,"abstract":"<div><div>To address the high-temperature degradation of conventional Pd-based hydrogen sensors, this study proposes a Pd/SiC@C core-shell nanowire heterostructure. Under UV irradiation, the localized surface plasmon resonance effect in Pd nanoparticles significantly enhances hydrogen adsorption and diffusion. At 300 °C, the sensor achieves a response of 27% to 20 ppm H<sub>2</sub>, with response and recovery times of 3.5 s and 6.2 s, respectively. It maintains high sensitivity across a wide operating temperature range (50-300 °C) and H<sub>2</sub> concentration range (20-200 ppm). Notably, after 30 consecutive days of operation at 300 °C, the device exhibits negligible performance degradation. First-principles calculations confirm strong H<sub>2</sub> adsorption and significant interfacial charge transfer at the Pd(111)/SiC(111) interface, supporting the proposed electronic sensitization mechanism. This work establishes a robust design strategy for high-temperature, high-performance hydrogen sensors.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156267"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148529663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Understanding the density-dependent hydrogen evolution activity and stability in Pt single-atom catalysts 了解Pt单原子催化剂中密度依赖的析氢活性和稳定性
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-28 DOI: 10.1016/j.ijhydene.2026.156199
Qing Liu, Changmin Shi, Lijuan Xue, Dongchao Wang, Xiaolong Li, Feifei Li, Hongmei Liu
{"title":"Understanding the density-dependent hydrogen evolution activity and stability in Pt single-atom catalysts","authors":"Qing Liu,&nbsp;Changmin Shi,&nbsp;Lijuan Xue,&nbsp;Dongchao Wang,&nbsp;Xiaolong Li,&nbsp;Feifei Li,&nbsp;Hongmei Liu","doi":"10.1016/j.ijhydene.2026.156199","DOIUrl":"10.1016/j.ijhydene.2026.156199","url":null,"abstract":"<div><div>Recent studies have highlighted the importance of the densely populated single-atom catalysts (SACs), which possess not only higher mass-specific activity but also an additional type of inter-site interactions. However, an excessively high density of single-atom sites on the support often causes metallic aggregation, while too low density may limit their catalytic efficiency. Thus, it is of great significance to identify a moderate density of single-atom sites that can achieve the maximum catalytic efficiency. Herein, we study the effect of the density of single-atom sites on the electronic structure, stability and HER activity of Pt SACs through first-principles calculations, where Pt single atoms are anchored on the surface of Ni nanoclusters. We rationally design a series of Pt SACs with different numbers and various doping positions of Pt atoms. The results reveal that as the number of Pt atoms increases, the stability of Pt SACs linearly increases, while the Gibbs free-energy change of hydrogen adsorption first increases and then linearly decreases. When the density of Pt atoms reaches a moderate level <strong>(</strong>Pt<sub>SAC</sub>-Pt<sub>6</sub>Ni<sub>49</sub>), the SAC exhibits the optimal HER performance. Furthermore, the underlying mechanisms for density modulation are explained by electronic structure analysis. Significantly, the d-band center and the transferred Bader charges of Pt atoms are proposed as electronic descriptors for HER activity, with the latter providing a more sensitive correlation with HER activity, which will facilitate the strategic design of high-performance densely populated SACs. Finally, we also consider realistic catalytic factors, such as support, solvent effects, defects, and atomic aggregation, and investigate their influence on the HER activity and stability of PtNi SACs.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156199"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Curvature-driven orbital engineering of Co single-atom sites in carbon nanotubes for efficient oxygen reduction 碳纳米管中Co单原子位的曲率驱动轨道工程用于高效氧还原
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-06-27 DOI: 10.1016/j.ijhydene.2026.156185
Hongtao Wu, Qingyun Hu, Ninggui Ma, Jun Fan, Zhanhua Wei
{"title":"Curvature-driven orbital engineering of Co single-atom sites in carbon nanotubes for efficient oxygen reduction","authors":"Hongtao Wu,&nbsp;Qingyun Hu,&nbsp;Ninggui Ma,&nbsp;Jun Fan,&nbsp;Zhanhua Wei","doi":"10.1016/j.ijhydene.2026.156185","DOIUrl":"10.1016/j.ijhydene.2026.156185","url":null,"abstract":"<div><div>The oxygen reduction reaction (ORR) is crucial for the development of metal-air batteries. This work systematically investigates the curvature-mediated regulation of ORR performance in asymmetrically coordinated single-atom catalysts, CoN<sub>3</sub>Cl doped carbon nanotube (CoN<sub>3</sub>Cl@CTB), using first-principles calculations. By analyzing the binding energy, ab initio molecular dynamics, and density of states confirm the robust stability and metallic electronic properties of these catalysts. Within an optimal curvature range (CoN<sub>3</sub>Cl@CTB (9, 4) to (14, 4)), the catalysts demonstrate superior performance. Notably, CoN<sub>3</sub>Cl@CTB (14, 4) achieves an ultralow overpotential of 0.27 V, representing an approximately 40% improvement over commercial Pt/C. Further orbital analysis shows that performance enhancement stems from curvature's precise modulation of Co's coordination environment: it optimizes interfacial charge transfer and, critically, modulates Co <span><math><mrow><msub><mi>d</mi><mrow><mi>x</mi><mi>z</mi></mrow></msub></mrow></math></span> and <span><math><mrow><msub><mi>d</mi><mrow><msup><mi>x</mi><mn>2</mn></msup><mo>−</mo><msup><mi>y</mi><mn>2</mn></msup></mrow></msub></mrow></math></span> orbitals in a diameter-dependent way, inducing energy gap separation and decoupling their <em>π</em>/<em>σ</em> bonding roles, thus fine-tuning intermediate adsorption energies for ORR. This study provides important theoretical insights for designing high-performance cathode materials for metal-air batteries.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156185"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to ‘Adaptive model predictive control for PEM electrolysis system with pre-regulated temperature and pressure approach’ [Int J Hydrogen Energy, 238 (2026), 155160] “预调节温度和压力方法的PEM电解系统的自适应模型预测控制”的更正[J] .氢能源,238 (2026),155160]
IF 9.2 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2026-07-22 Epub Date: 2026-07-01 DOI: 10.1016/j.ijhydene.2026.156038
Jie Song, Zheng Zong, Danxi Liang, Yunxi Yang, Guizhi Xu, Mengyuan Yang, Shaojie Ke, Yanmin Zu, Lixiao Liang, Gendi Li, Chao Xu
{"title":"Corrigendum to ‘Adaptive model predictive control for PEM electrolysis system with pre-regulated temperature and pressure approach’ [Int J Hydrogen Energy, 238 (2026), 155160]","authors":"Jie Song,&nbsp;Zheng Zong,&nbsp;Danxi Liang,&nbsp;Yunxi Yang,&nbsp;Guizhi Xu,&nbsp;Mengyuan Yang,&nbsp;Shaojie Ke,&nbsp;Yanmin Zu,&nbsp;Lixiao Liang,&nbsp;Gendi Li,&nbsp;Chao Xu","doi":"10.1016/j.ijhydene.2026.156038","DOIUrl":"10.1016/j.ijhydene.2026.156038","url":null,"abstract":"","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"253 ","pages":"Article 156038"},"PeriodicalIF":9.2,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148502781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书