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学者姓名：程年才
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Abstract ：
The development of high-performance electrocatalysts for hydrogen evolution reaction (HER) in different pH conditions is pivotal in producing green hydrogen, but remains challenging. Herein, we regulate the p-d orbitals hybridization between B and Pt for effective and durable HER at all pH ranges by controlling the inserted B atom. Consequently, the optimized B-doped Pt catalysts with 20 at.% B content (Pt80B20/C) has the highest HER performance, with only 7 mV overpotential in acidic conditions, 37 mV in alkaline media, and 47 mV in neutral media, more remarkably, have negligible attenuation during electrolysis up to 100 h, which is superior to commercial Pt/C catalysts. Theoretical calculations revealed that by inserting appropriate B atoms in the interstitial vacancies of Pt, the electronic structure of Pt is suitable for providing appropriate hydrogen intermediates (H*) adsorption/desorption strength, resulting in superior acid HER electrocatalyst performance. Besides, a strong electronic interaction existed between Pt and inserted-B atoms leaving Pt sites in an electron deficiency state, which facilitates the bond cleavage of the H-OH of H2O, hence accelerating water dissociation and promoting neutral/alkaline HER dynamics.
Keyword ：
Electronic structure Electronic structure Hydrogen evolution reaction Hydrogen evolution reaction Orbital hybridization Orbital hybridization Pt-based catalysts Pt-based catalysts universal-pH universal-pH Water splitting Water splitting
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| GB/T 7714 | Jiang, Haoran , Xiao, Yong , Liu, Zhirang et al. Inserted-B atoms modulating electronic structure of Pt enhancing hydrogen evolution under Universal-pH [J]. | JOURNAL OF COLLOID AND INTERFACE SCIENCE , 2025 , 684 : 95-104 . |
| MLA | Jiang, Haoran et al. "Inserted-B atoms modulating electronic structure of Pt enhancing hydrogen evolution under Universal-pH" . | JOURNAL OF COLLOID AND INTERFACE SCIENCE 684 (2025) : 95-104 . |
| APA | Jiang, Haoran , Xiao, Yong , Liu, Zhirang , Wang, Zichen , Wei, Bojian , Wei, Qiliang et al. Inserted-B atoms modulating electronic structure of Pt enhancing hydrogen evolution under Universal-pH . | JOURNAL OF COLLOID AND INTERFACE SCIENCE , 2025 , 684 , 95-104 . |
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The oxygen spillover on the metal/oxide electrocatalysts interface acts as an essential role in promoting the oxygen evolution reaction (OER) for proton exchange membrane water electrolyzers (PEMWEs). However, oxygen spillover mechanisms and corresponding regulatory strategies are still unclear for addressing slow OH-migration kinetics. Herein, an interface is constructed between Iridium (Ir) and Niobium (Nb)-doped Titanium oxide (TiO2) with abundant oxygen vacancies area by plasma processing, enabling oxygen spillover from the metal Ir to supports. The optimized Ir/Nb-doped TiO2 with a significant OER activity (eta = 253 mV) and durability in acids compared to commercial IrO2. In situ experiments combined with theoretical computations reveal the presence of interfacial oxygen vacancies not only regulates the Ir structure toward boosted activity but also constructs a directional spillover pathway from Ir to interfacial oxygen vacancies area and then TiO2 via the OH*-filling route, which strikingly mitigates the OH* migration barriers. In addition, the optimized Ir/Nb-doped TiO2 exhibits excellent performance (1.69 V/1.0 A cm-2@80 degrees C) and long-term stability (approximate to 500 h@1.0 A cm-2) with practical potential in PEMWEs. This work provides a unique insight into the role of oxygen spillover, paving the way for designing Ir-based catalysts for PEMWEs.
Keyword ：
Ir-based electrocatalysts Ir-based electrocatalysts oxygen evolution reaction oxygen evolution reaction oxygen spillover oxygen spillover oxygen vacancy oxygen vacancy PEM water electrolysis PEM water electrolysis
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| GB/T 7714 | Zhu, Yu , Guo, Fei , Wei, Qiliang et al. Engineering the Metal/Oxide Interfacial O-Filling Effect to Tailor Oxygen Spillover for Efficient Acidic Water Oxidation [J]. | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
| MLA | Zhu, Yu et al. "Engineering the Metal/Oxide Interfacial O-Filling Effect to Tailor Oxygen Spillover for Efficient Acidic Water Oxidation" . | ADVANCED FUNCTIONAL MATERIALS (2025) . |
| APA | Zhu, Yu , Guo, Fei , Wei, Qiliang , Lai, Feiyan , Chen, Runzhe , Guo, Jianing et al. Engineering the Metal/Oxide Interfacial O-Filling Effect to Tailor Oxygen Spillover for Efficient Acidic Water Oxidation . | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
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The conversion of Li2S4 to Li2S is the most important and slowest rate-limiting step in the complex sulfur reduction reaction (SRR) for Li-S batteries, the adjustment of which can effectively inhibit the notorious "shuttle effect". Herein, a CoSe2-FeSe2 heterostructure embedded in 3D N-doped nanocage as a modified layer on commercial separator is designed (CoSe2-FeSe2@NC//PP). The CoSe2-FeSe2 heterostructure forms a built-in electric field at the two-phase interface, which leads to the optimized adsorption force on polysulfides and the accelerated reaction kinetics for Li2S4-Li2S evolution. Density functional theory (DFT) calculations and experimental results combine to show that the liquid-solid reaction (Li2S4-Li2S2/Li2S) is significantly enhanced in terms of thermodynamics and electrodynamics. Consequently, the batteries assembled with CoSe2-FeSe2@NC//PP delivered an excellent rate capability (606 mAh g(-1) under 8.0 C) and a long cycling lifespan (only 0.056% at 1.0 C after 1000 cycles). In addition, the cells can provide high initial capacity of 887 mAh g(-1) at sulfur loading of 5.8 mg cm(-2) and 0.1 C. This work would provide valuable insights into binary metal selenide heterostructures for liquid-solid conversion in Li-S batteries.
Keyword ：
heterostructures heterostructures liquid-solid conversion liquid-solid conversion lithium-sulfur batteries lithium-sulfur batteries modified separator modified separator
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| GB/T 7714 | Luo, Ruijian , Zhao, Junzhe , Zheng, Ming et al. Built-in Electric Field Within CoSe2-FeSe2 Heterostructure for Enhanced Sulfur Reduction Reaction in Li-S Batteries [J]. | SMALL , 2024 , 20 (49) . |
| MLA | Luo, Ruijian et al. "Built-in Electric Field Within CoSe2-FeSe2 Heterostructure for Enhanced Sulfur Reduction Reaction in Li-S Batteries" . | SMALL 20 . 49 (2024) . |
| APA | Luo, Ruijian , Zhao, Junzhe , Zheng, Ming , Wang, Zichen , Zhang, Shunqiang , Zhang, Jiancan et al. Built-in Electric Field Within CoSe2-FeSe2 Heterostructure for Enhanced Sulfur Reduction Reaction in Li-S Batteries . | SMALL , 2024 , 20 (49) . |
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The insufficient durability of Pt-based catalysts and the sluggish kinetics of oxygen reduction reaction (ORR) is hampering the development of proton exchange membrane fuel cells (PEMFCs) for commercialization. Herein, a single atom Ti-modified activated nitrogen-doped porous carbon (Ti-a-NPC) is designed to equalize O2-activation/*OH-removal through regulating the charge rearrangement of ultra-small L12-Pt3Co for efficient and durable oxygen reduction. The Ti single-atom modified in the surface/pore of Ti-a-NPC can anchor the Pt-based intermetallic nanoparticles (NPs) not only guarantees Pt-based intermetallics' ultra-fine size (approximate to 2.62 nm) but also maintains Pt-based intermetallics during ORR process. The enhanced catalyst (L12-Pt3Co/Ti-a-NPC) achieves 11-fold mass activity (1.765 A mgPt-1) compared to commercial Pt/C. Notably, after 30 000 cycles of accelerated durability tests, the mass activity of the L12-Pt3Co/Ti-a-NPC only decreased by 3.7%, while that of commercial Pt/C decreased by 37.1%. Rationalized by theoretical simulation, the introduction of Ti atoms can form charge channels between L12-Pt3Co NPs and Ti-a-NPC, accelerating the charge transfer in the ORR process. Furthermore, the charge of L12-Pt3Co will accumulate to Ti atoms and buffer the electron transfer of L12-Pt3Co to the N atoms, thus optimizing the adsorption performance of the active site to the oxygen-containing intermediate and improving the intrinsic activity of the catalyst. The single-atom Ti synergizes with the confinement effect of Ti-a-NPC not only restricting the size increase of Pt-based intermetallics during the ordering process (average size 2.6 nm) but also inhibiting the shedding and migration of Pt-based intermetallics under fuel cell operating conditions. The charge of ultra-small L12-Pt3Co is regulated by single atom Ti to equalize O2-activation/*OH-removal for efficient oxygen reduction. image
Keyword ：
charge rearrangement charge rearrangement fuel cells fuel cells oxygen reduction reaction oxygen reduction reaction Pt-based intermetallics Pt-based intermetallics Ti single-atom Ti single-atom
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| GB/T 7714 | Wang, Zichen , Wu, Wei , Jiang, Haoran et al. Ti Single Atom Enhancing Pt-Based Intermetallics for Efficient and Durable Oxygen Reduction [J]. | ADVANCED FUNCTIONAL MATERIALS , 2024 , 34 (44) . |
| MLA | Wang, Zichen et al. "Ti Single Atom Enhancing Pt-Based Intermetallics for Efficient and Durable Oxygen Reduction" . | ADVANCED FUNCTIONAL MATERIALS 34 . 44 (2024) . |
| APA | Wang, Zichen , Wu, Wei , Jiang, Haoran , Chen, Suhao , Chen, Runzhe , Zhu, Yu et al. Ti Single Atom Enhancing Pt-Based Intermetallics for Efficient and Durable Oxygen Reduction . | ADVANCED FUNCTIONAL MATERIALS , 2024 , 34 (44) . |
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Precisely controlling the strain of Pt-based intermetallic to ensure high performance and stability is a massive task for sustainable proton-exchange-membrane-fuel-cells. Herein, the Al single-atom was trapped into the L1(2)Pt(3)Co intermetallic core to precisely tailor the strain state on the Pt-skin for fast oxygen reduction reaction kinetics. Theoretical calculations firstly predicted that only tailored tension can accelerate the protonation of O-2 on L1(2)-Pt3Co@Pt without creating an additional energy barrier for subsequent oxygen-containing intermediates desorption. Experimentally, Al single-atom confined in the L1(2)-Pt3Co lattice by substituting partial Co occupancy, imposing tailored similar to 0.2 % tension on Pt-skin compared to the L1(2-)Pt(3)Co. L1(2)-Al-Pt3Co@Pt/C exhibits enhanced mass activity which is ten-time improvement over commercial Pt/C. More significantly, XAS and DFT results reveal that the Al single-atom can strengthen the Pt-Co bonding, enhancing the stability of L1(2)-AlPt3Co@Pt/C in oxygen reduction. This work provides an avenue to design the strain by single-atom for sustainable energy conversion technologies.
Keyword ：
Atomic layer deposition Atomic layer deposition Oxygen reduction reaction Oxygen reduction reaction Pt-based intermetallic Pt-based intermetallic Single-atom Single-atom Strain engineering Strain engineering
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| GB/T 7714 | Wu, Wei , Qu, Wei , Wang, Zichen et al. Single-atom Al precisely modulate the strain of Pt3Co intermetallic for superior oxygen catalytic performance [J]. | CHEMICAL ENGINEERING JOURNAL , 2024 , 491 . |
| MLA | Wu, Wei et al. "Single-atom Al precisely modulate the strain of Pt3Co intermetallic for superior oxygen catalytic performance" . | CHEMICAL ENGINEERING JOURNAL 491 (2024) . |
| APA | Wu, Wei , Qu, Wei , Wang, Zichen , Tan, Yangyang , Chen, Runzhe , Chen, Suhao et al. Single-atom Al precisely modulate the strain of Pt3Co intermetallic for superior oxygen catalytic performance . | CHEMICAL ENGINEERING JOURNAL , 2024 , 491 . |
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The transformation of Li2S2-Li2S is indubitably the most crucial and labored rate-limiting step among the sophisticated reactions for the lithium-sulfur batteries(LSBs),the adjustment of which is anticipated to impede the shuttle effect.Herein,a N,Se dual-doped carbon nanocages embedded by Co-CoSe2 nanopar-ticles(Co-CoSe2@NSeC)is employed as a functional coating layer on commercial separator to improve the performance of LSBs.The well-designed N,Se co-doped nanostructures endow the modified layer with a satisfactory capacity for blocking polysulfides.Both calculations and experiments jointly disclose that the Li2S2 to Li2S reaction,including the liquid-solid conversion,was prominently expedited both thermodynamically and electrodynamically.Consequently,the batteries fabricated with Co-CoSe2@NSeC modified separator can deliver a favorable 764.2 mAh g-1 with 8.0 C,accompanied by a salient long cy-cling lifespan(only 0.066％at 1 C and 0.061％under 2 C after 1000 and 2000 cycles),and a desired anode protection.In addition,despite a raised areal loading of 7.53 mg cm-2 was introduced,the cells assembled by Co-CoSe2@NSeC@PP are allowed to produce an outstanding initial behavior of 8.71 mAh cm-2 under 0.2 C.This work may reinforce further explorations and serve with valuable insights into N,Se dual-doping materials for high-performance LSBs.
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| GB/T 7714 | Ming Zheng , Wei Wu , Ruijian Luo et al. Constructing stronger interaction with polysulfides for faster conversion of Li2S2 to Li2S by Co-CoSe2@N,Se-doped carbon nanocages in lithium-sulfur batteries [J]. | 材料科学技术（英文版） , 2024 , 195 (28) : 165-176 . |
| MLA | Ming Zheng et al. "Constructing stronger interaction with polysulfides for faster conversion of Li2S2 to Li2S by Co-CoSe2@N,Se-doped carbon nanocages in lithium-sulfur batteries" . | 材料科学技术（英文版） 195 . 28 (2024) : 165-176 . |
| APA | Ming Zheng , Wei Wu , Ruijian Luo , Suhao Chen , Junzhe Zhao , Niancai Cheng . Constructing stronger interaction with polysulfides for faster conversion of Li2S2 to Li2S by Co-CoSe2@N,Se-doped carbon nanocages in lithium-sulfur batteries . | 材料科学技术（英文版） , 2024 , 195 (28) , 165-176 . |
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Rational tailoring of the electronic structure at the defined active center of reconstructed metal (oxy)hydroxides (MOOH) during oxygen evolution reaction (OER) remains a challenge. With the guidance of density functional theory (DFT), herein a dual-site regulatory strategy is reported to tailor the d-band center of the Co site in CoOOH via the controlled electronic transfer at the RuOCoOFe bonding structure. Through the bridged O-2- site, electrons are vastly flowed from the t(2g)-orbital of the Ru site to the low-spin orbital of the Co site in the Ru-O-Co coordination and further transfer from the strong electron-electron repulsion of the Co site to the Fe site by the Co-O-Fe coordination, which balancing the electronic configuration of Co sites to weaken the over-strong adsorption energy barrier of OH* and O*, respectively. Benefiting from the highly active of the Co site, the constructed (Ru2Fe2Co6)OOH provide an extremely low overpotential of 248 mV and a Tafel slope of 32.5 mV dec-1 at 10 mA cm-2 accompanied by long durability in alkaline OER, far superior over the pristine and Co-O-Fe bridged CoOOH catalysts. This work provides guidance for the rational design and in-depth analysis of the optimized role of metal dual-sites.
Keyword ：
dual-sites dual-sites electronic structures electronic structures metal (oxy)hydroxides metal (oxy)hydroxides oxygen adsorption energetics oxygen adsorption energetics oxygen evolution reactions oxygen evolution reactions
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| GB/T 7714 | Zhu, Yu , Zhang, Shunqiang , Chen, Runzhe et al. Controllable Electronic Transfer Tailoring d-band Center via Cobalt-Oxygen-Bridged Ru/Fe Dual-sites for Boosted Oxygen Evolution [J]. | SMALL , 2024 , 20 (25) . |
| MLA | Zhu, Yu et al. "Controllable Electronic Transfer Tailoring d-band Center via Cobalt-Oxygen-Bridged Ru/Fe Dual-sites for Boosted Oxygen Evolution" . | SMALL 20 . 25 (2024) . |
| APA | Zhu, Yu , Zhang, Shunqiang , Chen, Runzhe , Wang, Zichen , Wu, Wei , Jiang, Haoran et al. Controllable Electronic Transfer Tailoring d-band Center via Cobalt-Oxygen-Bridged Ru/Fe Dual-sites for Boosted Oxygen Evolution . | SMALL , 2024 , 20 (25) . |
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The transformation of Li2S2 -Li2S is indubitably the most crucial and labored rate -limiting step among the sophisticated reactions for the lithium -sulfur batteries (LSBs), the adjustment of which is anticipated to impede the shuttle effect. Herein, a N, Se dual -doped carbon nanocages embedded by Co-CoSe2 nanoparticles (Co-CoSe2 @NSeC) is employed as a functional coating layer on commercial separator to improve the performance of LSBs. The well -designed N, Se co -doped nanostructures endow the modified layer with a satisfactory capacity for blocking polysulfides. Both calculations and experiments jointly disclose that the Li2S2 to Li2S reaction, including the liquid -solid conversion, was prominently expedited both thermodynamically and electrodynamically. Consequently, the batteries fabricated with Co-CoSe2 @NSeC modified separator can deliver a favorable 764.2 mAh g-1 with 8.0 C, accompanied by a salient long cycling lifespan (only 0.066 % at 1 C and 0.061 % under 2 C after 10 0 0 and 20 0 0 cycles), and a desired anode protection. In addition, despite a raised areal loading of 7.53 mg cm-2 was introduced, the cells assembled by Co-CoSe2 @NSeC@PP are allowed to produce an outstanding initial behavior of 8.71 mAh cm-2 under 0.2 C. This work may reinforce further explorations and serve with valuable insights into N, Se dual -doping materials for high-performance LSBs. (c) 2024 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
Keyword ：
Hollow nanostructure Hollow nanostructure Li2 S2-Li2 S phase-transition Li2 S2-Li2 S phase-transition Lithium-sulfur batteries Lithium-sulfur batteries Modified separator Modified separator N Se doping carbon N Se doping carbon
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| GB/T 7714 | Zheng, Ming , Wu, Wei , Luo, Ruijian et al. Constructing stronger interaction with polysulfides for faster conversion of Li2S2 to Li2S by Co-CoSe2 @N, Se-doped carbon nanocages in lithium-sulfur batteries [J]. | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY , 2024 , 195 : 165-176 . |
| MLA | Zheng, Ming et al. "Constructing stronger interaction with polysulfides for faster conversion of Li2S2 to Li2S by Co-CoSe2 @N, Se-doped carbon nanocages in lithium-sulfur batteries" . | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 195 (2024) : 165-176 . |
| APA | Zheng, Ming , Wu, Wei , Luo, Ruijian , Chen, Suhao , Zhao, Junzhe , Cheng, Niancai . Constructing stronger interaction with polysulfides for faster conversion of Li2S2 to Li2S by Co-CoSe2 @N, Se-doped carbon nanocages in lithium-sulfur batteries . | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY , 2024 , 195 , 165-176 . |
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For the most commonly applied platinum-based catalysts of direct methanol fuel cells, the adsorption ability toward reaction intermediates, including CO and OH, plays a vital role in their catalytic activity and antipoisoning in anodic methanol oxidation reaction (MOR). Herein, guided by a theoretical mechanism study, a favorable modulation of the electronic structure and intermediate adsorption energetics for Pt active sites is achieved by constructing the triple-phase interfacial structure between tin oxide (SnO2), platinum (Pt), and nitrogen-doped graphene (NG). From the strong electronic exchange at the triple-phase interface, the adsorption ability toward MOR reaction intermediates on Pt sites could be efficiently optimized, which not only inhibits the adsorption of CO* on active sites but also facilitates the adsorption of OH* to strip the poisoning species from the catalyst surface. Accordingly, the resulting catalyst delivers excellent catalytic activity and antipoisoning ability for MOR catalysis. The mass activity reaches 1098 mA mg(Pt)(-1), 3.23 times of commercial Pt/C. Meanwhile, the initial potentials and main peak for CO oxidation are also located at a much lower potential (0.51 and 0.74 V) against commercial Pt/C (0.83 and 0.89 V).
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| GB/T 7714 | Chen, Runzhe , Wang, Zichen , Chen, Suhao et al. Optimizing Intermediate Adsorption on Pt Sites via Triple-Phase Interface Electronic Exchange for Methanol Oxidation [J]. | INORGANIC CHEMISTRY , 2024 , 63 (9) : 4364-4372 . |
| MLA | Chen, Runzhe et al. "Optimizing Intermediate Adsorption on Pt Sites via Triple-Phase Interface Electronic Exchange for Methanol Oxidation" . | INORGANIC CHEMISTRY 63 . 9 (2024) : 4364-4372 . |
| APA | Chen, Runzhe , Wang, Zichen , Chen, Suhao , Wang, Liang , Wu, Wei , Zhu, Yu et al. Optimizing Intermediate Adsorption on Pt Sites via Triple-Phase Interface Electronic Exchange for Methanol Oxidation . | INORGANIC CHEMISTRY , 2024 , 63 (9) , 4364-4372 . |
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Ru-based materials are promising electrocatalysts for hydrogen evolution reaction (HER) owing to their low-cost (one twenty-fifth of Pt) and similar Gibbs free energy of H* adsorption (AGH*) to that of Pt. However, the inadequate ability for the water dissociation of Ru catalysts is significantly impeding the water splitting efficiency. In this work, we demonstrate an atomically ordered hexagonal Ru-Ni alloy with compressive-strained Ru skin as a high-performance HER catalyst for significantly boosting the water dissociation. The Ordered Ru-Ni achieves an optimized catalytic activity for alkaline HER with a low overpotential of 23 mV at 10 mA cm-2, Tafel slope of 25.9 mV dec-1 and superior mass activity of 4.83 A mg-Ru1, which is 15.1 times higher than Ru/C. According to DFT calculations, the ordered RuNi core imposes homogeneous compressive strain on the Ru skin, resulting in an optimum binding energy towards H*/OH* intermediates on Ru active sites for rapid Tafel step kinetics. Moreover, the decreased H2O dissociation energy barrier of Ordered Ru-Ni suggests a promoted VolmerTafel kinetics is achieved, significantly boosting the overall HER efficiency. This work provides a practical avenue for surface strain engineering of Ru-based catalysts to promote the HER activity.
Keyword ：
Compressive strain Compressive strain Hydrogen evolution reaction Hydrogen evolution reaction Ru-Ni alloy Ru-Ni alloy Ru shell Ru shell Water dissociation Water dissociation
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| GB/T 7714 | Chen, Xuwen , Ye, Lifan , Wu, Wei et al. Compressed Ru skin on atomic-ordered hexagonal Ru-Ni enabling rapid Volmer-Tafel kinetics for efficient alkaline hydrogen evolution [J]. | CHEMICAL ENGINEERING JOURNAL , 2024 , 487 . |
| MLA | Chen, Xuwen et al. "Compressed Ru skin on atomic-ordered hexagonal Ru-Ni enabling rapid Volmer-Tafel kinetics for efficient alkaline hydrogen evolution" . | CHEMICAL ENGINEERING JOURNAL 487 (2024) . |
| APA | Chen, Xuwen , Ye, Lifan , Wu, Wei , Chen, Suhao , Wang, Zichen , Zhu, Yu et al. Compressed Ru skin on atomic-ordered hexagonal Ru-Ni enabling rapid Volmer-Tafel kinetics for efficient alkaline hydrogen evolution . | CHEMICAL ENGINEERING JOURNAL , 2024 , 487 . |
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