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学者姓名：王如志
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Abstract ：
The distinctive characteristics of alloy catalysts, encompassing composition, structure, and modifiable adsorption sites, present significant potential for the development of highly efficient electrocatalysts for oxygen evolution/reduction reactions [oxygen evolution reactions (OERs)/oxygen reduction reactions (ORRs)]. Machine learning (ML) methods can quickly establish the relationship between material features and catalytic activity, thus accelerating the development of alloy electrocatalysts. However, the current abundance of features presents a crucial challenge in selecting the most pertinent ones. In this study, we explored seven intrinsic features directly derived from the material's structure, with a specific focus on the chemical environment of active sites and their nearest neighbors. An accurate and efficient ML model to predict potential bifunctional oxygen electrocatalysts based on the intrinsic features of AB-type alloy active sites and intermediate free energies in the OERs/ORRs was established. These features possess clear physical and chemical meanings, closely linked to the electronic and geometric structures of active sites and neighboring atoms, thereby providing indispensable insights for the discovery of high-performance electrocatalysts. The ML model achieved R-2 scores of 0.827, 0.913, and 0.711 for the predicted values of the three intermediate (OH, O, OOH) free energies, with corresponding mean absolute errors of 0.175, 0.242, and 0.200 eV, respectively. These results indicate that the ML model exhibits high accuracy in predicting the intermediate free energies. Furthermore, the ML model exhibited a prediction efficiency 150,000 times faster than traditional density functional theory calculations. This work will offer valuable insights and a framework for facilitating the rapid design of potential catalysts by ML methods.
Keyword ：
density functional theory density functional theory intrinsicfeatures intrinsicfeatures alloy catalysts alloy catalysts machine learning machine learning bifunctionaloxygen electrocatalyst bifunctionaloxygen electrocatalyst active sites active sites
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| GB/T 7714 | Wang, Chao , Wang, Bing , Wang, Changhao et al. Efficient Machine Learning Model Focusing on Active Sites for the Discovery of Bifunctional Oxygen Electrocatalysts in Binary Alloys [J]. | ACS APPLIED MATERIALS & INTERFACES , 2024 , 16 (13) : 16050-16061 . |
| MLA | Wang, Chao et al. "Efficient Machine Learning Model Focusing on Active Sites for the Discovery of Bifunctional Oxygen Electrocatalysts in Binary Alloys" . | ACS APPLIED MATERIALS & INTERFACES 16 . 13 (2024) : 16050-16061 . |
| APA | Wang, Chao , Wang, Bing , Wang, Changhao , Chang, Zhipeng , Yang, Mengqi , Wang, Ruzhi . Efficient Machine Learning Model Focusing on Active Sites for the Discovery of Bifunctional Oxygen Electrocatalysts in Binary Alloys . | ACS APPLIED MATERIALS & INTERFACES , 2024 , 16 (13) , 16050-16061 . |
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Abstract ：
Solar heating (SH) and radiative cooling (RC) are effective methods for thermal management using solar energy and cold outer space, respectively. However, effectively integrating SH and RC to meet various seasonal demands poses a challenge due to the differing radiative properties needed for the material surfaces. In this work, we propose a flexible energy-saving surface (FESS) with the coupling effect of a resonant cavity and a photonic structure, which can synergistically control both near-infrared(NIR) and long-wave infrared(LIR). The resonant cavity in FESS is driven by a metal-insulator phase transition that exhibits different emissivity at high and low temperatures to regulate RC automatically. Simultaneously, the photonic structure achieves flexible control of NIR reflectivity within the range of 0.176-0.814 through its structure, enabling the on-demand modulation of the SH. As a result, the normal building integrating the FESS can cool low to 11.61 degrees C during warm weather (35 degrees C) and up to 18.95 degrees C during cold weather (0 degrees C), reducing thermal management energy consumption by 6.4 %- 43.5 % in various climatic regions worldwide. The presented FESS may be expected to be widely applied to the external surfaces of buildings, vehicles, or other shading structures, providing assistance for cooling/heating without energy consumption.
Keyword ：
Radiation cooling Radiation cooling Energy-saving materials Energy-saving materials Photonic crystal Photonic crystal Solar heating Solar heating
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| GB/T 7714 | Wang, Han , Zhang, Xun , Wang, Ruzhi . Flexible energy-saving surface for all-season adaptive thermal management [J]. | ENERGY , 2024 , 313 . |
| MLA | Wang, Han et al. "Flexible energy-saving surface for all-season adaptive thermal management" . | ENERGY 313 (2024) . |
| APA | Wang, Han , Zhang, Xun , Wang, Ruzhi . Flexible energy-saving surface for all-season adaptive thermal management . | ENERGY , 2024 , 313 . |
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Abstract ：
1D gallium nitride (GaN) nanowires (NWs) can combine the intriguing properties of 1D materials with the wide bandgap nature of GaN materials. In this study, a type of high crystalline orientation wurtzite (WZ)/zinc-blende (ZB) superlattice (SL) NWs is synthesized for the first time to the knowledge, which special structure can be also demonstrated by first-principles calculation. The proposed GaN SL NWs UV PD demonstrates pronounced photoelectric performances working in a self-powered mode, including a large responsivity (23.72 mA W-1), a high specific detectivity (4.4167 x 1011 Jones), and a fast response speed (rise/decay time of 0.76/0.8 ms, significantly better than most of the gallium series NWs photodetectors reported so far). And the PD also exhibits excellent stability, enabling the photocurrent to remain largely consistent over a period of 18 months, which photoelectric current decay rate is less than 1%/year. These outstanding performance of WZ/ZB GaN SL NWs may be benefited from more stable structure and their diverse electronic channeling of GaN SL surface distributed gold quantum dots compared to that of pure WZ or ZB phase GaN. This research shows WZ/ZB GaN SL NWs' exceptional UV PD performance and new insights into their electronic structures for device applications.
Keyword ：
band reconstruction band reconstruction UV detector UV detector GaN NWs GaN NWs WZ/ZB SL WZ/ZB SL ultrastable ultrastable
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| GB/T 7714 | Zhang, Jingyang , Wang, Jiaxing , Fan, Jinglin et al. Ultrastable and Quick Response UV Photodetector by High Crystalline Orientation Wurtzite/Zinc-Blende GaN Superlattice [J]. | ADVANCED OPTICAL MATERIALS , 2024 . |
| MLA | Zhang, Jingyang et al. "Ultrastable and Quick Response UV Photodetector by High Crystalline Orientation Wurtzite/Zinc-Blende GaN Superlattice" . | ADVANCED OPTICAL MATERIALS (2024) . |
| APA | Zhang, Jingyang , Wang, Jiaxing , Fan, Jinglin , Wang, Chao , Guo, Zening , Zheng, Kun et al. Ultrastable and Quick Response UV Photodetector by High Crystalline Orientation Wurtzite/Zinc-Blende GaN Superlattice . | ADVANCED OPTICAL MATERIALS , 2024 . |
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Abstract ：
In response to global climate change, achieving sustainable development through energy conservation and emission reduction has become a common goal for humanity. In this work, we present a general model for computing the energy consumption and carbon emissions of building with low computational complexity and effort. Based on this model, we designed smart green building walls (SGBW), which consist of conventional walls and thermal storage/release films applied to their external/internal surfaces. These films, which incorporate thermochromic materials can adaptively adjust their radiation properties according to environmental temperature. At high temperatures, the thermal storage film(TSF) absorbs heat utilizing a solar absorptance of 0.604 and storing the heat within the wall. Conversely, at low temperatures, the thermal release film(TRF) unidirectionally releases heat into the interior with an infrared emissivity of 0.821. The simulation results indicate that SGBW has enhanced heat storage capacity by 18.7 % and increased heat release capacity by 30.4 % compared to conventional cement walls. In addition, calculations using the general model show that each square meter of SGBW can save 417 805 kWh of electricity and reduces CO2 emissions by 225 477 kg over the building's lifecycle in various climatic zones, aligning closely with results obtained from the commercial software. Thus, this model not only simplifies intricate simulation processes but also serves as a guide for designing surface devices. The SGBW is anticipated to be particularly beneficial in buildings located in regions requiring nighttime heating, contributing significantly to indoor temperature regulation while simultaneously reducing energy consumption and carbon emissions.
Keyword ：
Solar Heating Solar Heating Thermal Storage Thermal Storage Energy-saving Materials Energy-saving Materials Environmental Adaptation Environmental Adaptation
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| GB/T 7714 | Wang, Han , Zhang, Xun , Wang, Ruzhi . Temperature adaptive thermal storage/release wall based on dynamic spectral control [J]. | ENERGY AND BUILDINGS , 2024 , 326 . |
| MLA | Wang, Han et al. "Temperature adaptive thermal storage/release wall based on dynamic spectral control" . | ENERGY AND BUILDINGS 326 (2024) . |
| APA | Wang, Han , Zhang, Xun , Wang, Ruzhi . Temperature adaptive thermal storage/release wall based on dynamic spectral control . | ENERGY AND BUILDINGS , 2024 , 326 . |
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Abstract ：
The wideband absorption and transmission of frequency-selective rasorber (FSR) remain a persistent challenge in the application of radar devices. In this article, a novel high performance wideband FSR design based on cross bend resonators was proposed. The FSR consists of an upper absorption lossy layer, which offers broad absorption and transmission bands, and a lower bandpass frequency-selective surface that enables a highly selective transmission of incident electromagnetic wave. Full wave simulation results showed that this novel design achieves an absorption bandwidth of 83.7% with more than 90% absorptivity in the frequency range of 5.2-12.7 GHz. Furthermore, the passband's fractional bandwidth for the insertion loss (IL) less than -3 dB is 33.9%, ranging from 14.9 to 21 GHz, with the minimum IL recorded at 0.69 dB at 17.7 GHz. To further verify the proposed method, a prototype FSR with 10 x 10 units of 120 mm x 120 mm was fabricated and the performance of the FSR was tested. The experiment results were in good agreement with the simulated results, and it showed a significant monostatic radar cross-section reduction in the frequency range of 5.3 GHz to 18.3 GHz compared with a metallic plane of the same size.
Keyword ：
wideband transmission wideband transmission cross bend resonators (CBR) cross bend resonators (CBR) radar cross-section (RCS) reduction radar cross-section (RCS) reduction absorption absorption frequency selective rasorber (FSR) frequency selective rasorber (FSR)
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| GB/T 7714 | Li, Xiu-Feng , Wang, Chao , Wang, Bing et al. Frequency selective rasorber based on cross bend resonators for wideband transmission and absorption [J]. | JOURNAL OF PHYSICS D-APPLIED PHYSICS , 2024 , 57 (34) . |
| MLA | Li, Xiu-Feng et al. "Frequency selective rasorber based on cross bend resonators for wideband transmission and absorption" . | JOURNAL OF PHYSICS D-APPLIED PHYSICS 57 . 34 (2024) . |
| APA | Li, Xiu-Feng , Wang, Chao , Wang, Bing , Du, JunZhao , Zhang, Sheng-Jun , Wang, Ru-Zhi . Frequency selective rasorber based on cross bend resonators for wideband transmission and absorption . | JOURNAL OF PHYSICS D-APPLIED PHYSICS , 2024 , 57 (34) . |
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Abstract ：
Adopting noble metals on non-noble metals is an effective strategy to balance the cost and activity of electrocatalysts. Herein, a thorough analysis of the synergistic OER is conducted at the heterogeneous interface formed by Ir clusters and NiCo2O4 based on DFT calculations. Specifically, the electrons spontaneously bring an e(g) occupancy of interfacial Ir close to unity after the absorbed O, providing more transferable electrons for the conversion of the absorbed O-intermediates. Besides, the diffuse distribution of electrons in the Ir 5d orbital fills the antibonding orbital after O is absorbed, avoiding the desorption difficulties caused by the stronger Ir-O bonds. The electrons transfer from Ir to Co atoms at the heterogeneous interface and fill the Co 3d band near the Fermi level, stimulating the interfacial Co to participate in the direct O-O coupling (DOOC) pathway. Experimentally, the ultrathin-modulated NiCo2O4 nanosheets are used to support Ir clusters (Ir-cluster-E-NiCo2O4) by the electrodeposition method. The as-synthesized Ir-cluster-E-NiCo2O4 catalyst achieves a current density of 10 mA cm(-2) at an ultralow overpotential of 238 mV and works steadily for 100 h under a high current of 100 mA cm(-2), benefiting from the efficient DOOC pathway during the OER.
Keyword ：
heterogeneous interfaces heterogeneous interfaces NiCo2O4 NiCo2O4 oxygen evolution reaction oxygen evolution reaction Ir clusters Ir clusters direct O-O coupling direct O-O coupling
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| GB/T 7714 | Yang, Meng-Qi , Zhou, Kai-Ling , Zhao, Wei et al. Synergistic Assistance of Ir Clusters and NiCo2O4 Nanosheets Interfaces in Direct O-O Coupling for High-Efficiency Alkaline Oxygen Evolution [J]. | ACS APPLIED MATERIALS & INTERFACES , 2024 . |
| MLA | Yang, Meng-Qi et al. "Synergistic Assistance of Ir Clusters and NiCo2O4 Nanosheets Interfaces in Direct O-O Coupling for High-Efficiency Alkaline Oxygen Evolution" . | ACS APPLIED MATERIALS & INTERFACES (2024) . |
| APA | Yang, Meng-Qi , Zhou, Kai-Ling , Zhao, Wei , Wang, Changhao , Chen, Ge , Wang, Ru-Zhi . Synergistic Assistance of Ir Clusters and NiCo2O4 Nanosheets Interfaces in Direct O-O Coupling for High-Efficiency Alkaline Oxygen Evolution . | ACS APPLIED MATERIALS & INTERFACES , 2024 . |
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Abstract ：
金属-半导体-金属(MSM)型氧化镓薄膜探测器的性能高度依赖于氧化镓薄膜的均匀性,工艺难度较高,对规模化、量产化薄膜探测器提出了挑战.本文首次在量产化悬臂式薄膜芯片表面物理沉积氧化镓薄膜,实现了一个五对叉指电极结构的MSM型氧化镓薄膜日盲探测器.得益于微机电系统(MEMS)工艺制备的悬臂式电极结构保护了内部电路与探测薄膜的完整均匀性,所获得的氧化镓薄膜虽然是非晶结构,但探测器仍然具备良好的紫外探测性能.在18 V偏压下其探测率达到7.9×1010 Jones,外量子效率达到1779％,上升和下降时间分别为1.22 s和0.24 s,接近晶体氧化镓薄膜的探测性能.该探测器在无任何光学聚焦系统的情况下,实现了对户外日光环境下脉冲电弧的灵敏检测,将在日盲探测领域具有良好的潜在应用价值.本工作基于MEMS工艺的悬臂式电极结构开发的敏感功能薄膜沉积技术,避免了功能薄膜大面积均匀性对刻蚀电路的影响,为MSM型薄膜探测器的制备提供了新的技术方法和工艺路线.
Keyword ：
氧化镓 氧化镓 电弧检测 电弧检测 日盲探测器 日盲探测器
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| GB/T 7714 | 张裕 , 刘瑞文 , 张京阳 et al. 氧化镓悬臂式薄膜日盲探测器及其电弧检测应用 [J]. | 物理学报 , 2024 , 73 (9) : 279-286 . |
| MLA | 张裕 et al. "氧化镓悬臂式薄膜日盲探测器及其电弧检测应用" . | 物理学报 73 . 9 (2024) : 279-286 . |
| APA | 张裕 , 刘瑞文 , 张京阳 , 焦斌斌 , 王如志 . 氧化镓悬臂式薄膜日盲探测器及其电弧检测应用 . | 物理学报 , 2024 , 73 (9) , 279-286 . |
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Abstract ：
采用基于密度泛函理论的投影平面波方法,对Ruddlesden-Popper(RP)层状钙钛矿结构Bi8Ba4Mn8O28的电子结构和磁学性质进行了自旋极化计算.由于A位Ba的替位掺杂,造成MnO6八面体发生显著旋转、倾斜等畸变,会对电子结构与磁性产生较大影响,对此进行了充分的讨论.考虑在位库伦作用修正的广义梯度近似(GGA+U)的计算表明,Bi8Ba4Mn8O28基态为铁磁半金属,其半金属能隙3.07 eV,晶胞总磁矩为31μB.Bi8Ba4Mn8O28的晶胞磁矩主要来自Mn原子磁矩的贡献,而Bi、Ba与O原子磁矩相对较小;而半金属性则主要源于Mn 3d自旋向上与自旋向下电子间存在较大的交换劈裂所致.使晶胞承受均匀变形,当其晶格常数在-10％～14％较大范围变化时,半金属性均可得到保持,且其晶胞总磁矩可始终稳定于31μB.
Keyword ：
半金属 半金属 电子结构 电子结构 晶格形变 晶格形变 层状钙钛矿 层状钙钛矿 磁性 磁性 第一性原理 第一性原理
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| GB/T 7714 | 张铭 , 张持 , 王朝 et al. Ruddlesden-Popper层状钙钛矿Bi8Ba4Mn8O28的电子结构与磁性的第一性原理 [J]. | 北京工业大学学报 , 2024 , 50 (6) : 665-673 . |
| MLA | 张铭 et al. "Ruddlesden-Popper层状钙钛矿Bi8Ba4Mn8O28的电子结构与磁性的第一性原理" . | 北京工业大学学报 50 . 6 (2024) : 665-673 . |
| APA | 张铭 , 张持 , 王朝 , 彭铠 , 李赛楠 , 马林昊 et al. Ruddlesden-Popper层状钙钛矿Bi8Ba4Mn8O28的电子结构与磁性的第一性原理 . | 北京工业大学学报 , 2024 , 50 (6) , 665-673 . |
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Abstract ：
近年来,基于超材料的电磁吸波器件由于其宽带、易制备等优势而备受各国研究者的广泛关注.本文为实现宽带电磁低可探测,提出一种渐变电阻膜-介质复合结构的超材料吸波器.基于传输线理论和阻抗匹配原理,对强吸波条件进行了分析.在单元结构设计方面,采用遗传算法在多变量域内全局搜索最优解,快速地确定出能够兼顾低频与宽带吸波性能的超材料单元结构与电阻参数,并对器件吸波性能与吸波机理进行了深入的探讨.仿真结果表明,在垂直入射下,所设计的超材料吸波器对1.62—19.16 GHz (相对带宽168.8%)之间的入射波吸收率均大于90%,有效地向L和K波段拓展了吸收带宽.虽然在部分频段测试和仿真结果之间存在一定偏差,但两种类型的曲线随频率的变化趋势基本一致,这充分证明了所设计的超材料吸波器在低频宽带吸波领域具有潜在应用价值.
Keyword ：
渐变电阻膜 渐变电阻膜 遗传算法 遗传算法 超材料吸波体 超材料吸波体
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| GB/T 7714 | 王超 , 李绣峰 , 张生俊 et al. 基于遗传算法的宽带渐变电阻膜超材料吸波器设计 [J]. | 物理学报 , 2024 , 73 (07) : 117-127 . |
| MLA | 王超 et al. "基于遗传算法的宽带渐变电阻膜超材料吸波器设计" . | 物理学报 73 . 07 (2024) : 117-127 . |
| APA | 王超 , 李绣峰 , 张生俊 , 王如志 . 基于遗传算法的宽带渐变电阻膜超材料吸波器设计 . | 物理学报 , 2024 , 73 (07) , 117-127 . |
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Abstract ：
一种多场景环境自适应气体半导体阵列气体传感装置涉及气体组分传感技术领域。传统的气体检测仪器通常只能检测一种或少数几种气体成分，而且受环境影响较大，检测精度和灵敏度有限；同时，在未知突发情况的使用具有极大的限制性。记忆合金片以及空心合金杆；该装置包括多个记忆合金片相互重叠包覆于所述空心合金杆的侧壁上；每个所述记忆合金片上设置有半导体气体传感阵列。多个所述记忆合金片相互重叠包覆于所述空心合金杆的侧壁上；该装置能够同时检测多种气体成分，具有快速响应、高稳定性等优点，同时能够适用多种使用环境。
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| GB/T 7714 | 姚远舟 , 张京阳 , 王如志 . 一种多场景环境自适应气体半导体阵列气体传感装置 : CN202321427272.0[P]. | 2023-06-06 . |
| MLA | 姚远舟 et al. "一种多场景环境自适应气体半导体阵列气体传感装置" : CN202321427272.0. | 2023-06-06 . |
| APA | 姚远舟 , 张京阳 , 王如志 . 一种多场景环境自适应气体半导体阵列气体传感装置 : CN202321427272.0. | 2023-06-06 . |
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