{"title":"Activating the quantum capacitance of C24 Nanocages for supercapacitors through B/N substitution and 3d transition metal doping (ScZn) - a DFT perspective","authors":"Divyakaaviri Subramani , Akilesh Muralidharan , Shamini Pazhani Beena , Shankar Ramasamy","doi":"10.1016/j.diamond.2026.113398","DOIUrl":"10.1016/j.diamond.2026.113398","url":null,"abstract":"<div><div>Supercapacitors offer high power output and long cycle life, but their limited energy density necessitates the development of novel electrode materials with enhanced quantum capacitance (C<sub>Q</sub>) and surface charge storage (Q) capability. Hence, this study employs density functional theory (DFT) to investigate C<sub>Q</sub>, electronic structure, and Q behavior of C<sub>24</sub> nanocages and their B- and N- substituted derivatives (C<sub>23</sub>B, and C<sub>23</sub>N denoted as CB and CN). Unlike earlier studies on 2D carbon structures or larger fullerenes, this work provides the first systematic evaluation of the smaller C<sub>24</sub> nanocage as a supercapacitor electrode material. To further enhance C<sub>Q</sub> and Q performance, 3d transition metals (TMs) (Sc<img>Zn) are introduced through doping. Structural stability is confirmed via cohesive and binding energy calculations, with Ti-doped systems being the most robust. Charge density difference maps and Bader analysis demonstrate significant charge transfer from dopant metals to the cage, while partial density of states reveal 3d-2p orbital hybridization as the origin of improved C<sub>Q</sub>. The bare C<sub>24</sub>, CB, and CN cages show peak C<sub>Q</sub> values of 158, 127, and 114 μF/cm<sup>2</sup>, respectively. Upon doping, C<sub>Q</sub> increased to 169 μF/cm<sup>2</sup> (C/Sc), 163 μF/cm<sup>2</sup> (CB/Zn), and 171 μF/cm<sup>2</sup> (CN/Cr). Remarkably, CN/Ti and CN/V maintain high C<sub>Q</sub> even at zero bias, an unusal behavior in carbon-based electrodes that highlights their promise for low-voltage applications. By establishing C<sub>24</sub> based nanocages as a previously unexplored yet tunable platform, this work provides fundamental insights into d-orbital-mediated capacitance enhancement and positions these nanostructures as strong candidates for next-generation supercapacitor electrodes.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113398"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Qingjie Zheng, Jiaxin Yu, Liwei Ou, Tao He, Xianwen Zheng
{"title":"Synergistic photoelectrochemical polishing of polycrystalline diamond for high-efficiency atomic-level finishing","authors":"Qingjie Zheng, Jiaxin Yu, Liwei Ou, Tao He, Xianwen Zheng","doi":"10.1016/j.diamond.2026.113381","DOIUrl":"10.1016/j.diamond.2026.113381","url":null,"abstract":"<div><div>Polycrystalline diamond (PCD), known for its exceptional thermal conductivity, is an ideal material for heat dissipation in semiconductor devices. However, its extreme hardness and chemical inertness pose significant challenges in achieving high efficiency and superior surface quality. To address this, this study introduces an innovative approach: Ultraviolet-assisted Photoelectrochemical Chemical Mechanical Polishing (UV-PECMP) using boron-doped diamond (BDD). Under UV illumination, the BDD electrode generates a synergistic effect, enabling continuous and efficient production of high-concentration hydroxyl radicals. These radicals induce uniform and effective chemical oxidation on the PCD surface, which complements mechanical abrasion to facilitate material removal. The feasibility of this method is systematically evaluated through hydroxyl radical trapping tests, oxidation experiments, and polishing trials. Experimental results confirm that the proposed technique enables stable and efficient generation of ·OH, leading to effective surface oxidation of PCD. Combined with mechanical action, this method achieves an ultra-smooth surface with roughness values as low as Sa = 1.43 nm, Sz = 40.35 nm, and a high material removal rate (MRR = 690.8 nm/h). This work demonstrates the feasibility of the proposed method and provides a novel solution for ultra-precision machining of diamond materials.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113381"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiangming Che , Kuo Zhang , Shuhuan Wang , Tengchao Gao , Guolong Ni , Qun Li
{"title":"Pressure-induced formation of spherical boron nitride nanopowders with small size","authors":"Xiangming Che , Kuo Zhang , Shuhuan Wang , Tengchao Gao , Guolong Ni , Qun Li","doi":"10.1016/j.diamond.2026.113420","DOIUrl":"10.1016/j.diamond.2026.113420","url":null,"abstract":"<div><div>Spherical hexagonal boron nitride (h-BN) has garnered significant attention due to its excellent chemical stability, high specific surface area, and isotropic properties. However, it is still a challenge to precisely control the spherical shape and size. Herein, a high-efficiency and novel approach was developed to synthesize spherical h-BN nanostructure by low temperature combined with high pressure. The effects of pressure, holding time, and raw material ratios on the morphology and structure of spherical h-BN were systemically investigated. Multiple characterization techniques were used to characterize the obtained h-BN. The results demonstrate that the structural ordering and particle size can be precisely tuned by pressure, holding time, and raw material ratios. Compared to atmospheric pressure, can effectively improve the crystallinity and promote the formation of spherical h-BN nanostructures. Benefiting the synergistic effect between high pressure and low temperature, the synthesized spherical h-BN exhibits an ideal morphology with small particle size, excellent uniformity and a high degree of sphericity. Besides, the h-BN product is highly crystalline and show good thermal stability even at the lower synthesis temperature (900 °C). In addition, the formation mechanism of h-BN nanosphere is explored. It reveals that the high-pressure has a significant promoting effect on the formation of h-BN nanospheres. Besides, sodium metaborate (Na<sub>2</sub>O) from the decomposition of borax has a skeleton effect, which can enhance the reaction to produce h-BN products. This study will provide new insights into the preparation of high-quality spherical h-BN nanopowders.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113420"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shangman Zhao , Sheng Ye , Zichen Zhao , Jinlong Liu , Liangxian Chen , Junjun Wei , Chengming Li , Xiaoping Ouyang
{"title":"Ultrahigh carrier mobility in an amorphous-carbon-adsorbed diamond conductive channel","authors":"Shangman Zhao , Sheng Ye , Zichen Zhao , Jinlong Liu , Liangxian Chen , Junjun Wei , Chengming Li , Xiaoping Ouyang","doi":"10.1016/j.diamond.2026.113418","DOIUrl":"10.1016/j.diamond.2026.113418","url":null,"abstract":"<div><div>Hydrogen-terminated diamond (H-diamond) has emerged as a promising dopant-free p-type semiconductor owing to its distinctive surface conductivity. However, the development of H-diamond-based electronic devices remain constrained by their limited carrier mobility and poor environmental stability. In this work, we developed an innovative approach through conformal deposition of an amorphous carbon (a-C) layer on H-diamond surfaces via microwave plasma chemical vapor deposition. This engineered interface establishes a highly conductive channel exhibiting an unprecedented hole mobility exceeding 1470 cm<sup>2</sup>V<sup>−1</sup> s<sup>−1</sup>, while maintaining optimal carrier density (∼10<sup>12</sup> cm<sup>−2</sup>) and remarkably low sheet resistance (2300 Ω/□). The modified surface demonstrates exceptional environmental stability, retaining its electrical properties for over two months under ambient conditions while maintaining excellent conductivity at elevated temperatures up to 575 K. Comprehensive characterization through photoluminescence spectroscopy, ultraviolet photoelectron spectroscopy, and comparative vacuum/ambient Hall measurements reveals a charge transfer doping mechanism predominantly mediated by the adsorbed a-C layer, with secondary contributions from ambient molecular species. This breakthrough provides critical insights for designing stable, high-performance H-diamond-based electronic systems for advanced applications in extreme environments.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113418"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zesen Li , Jing Lu , Shaofeng Huang , Dongxu Li , Qiufa Luo , Congming Ke , Xipeng Xu
{"title":"High-performance NiCr alloy metal bonded wheels for mechanochemical grinding of polycrystalline diamond wafers: Fabrication and application","authors":"Zesen Li , Jing Lu , Shaofeng Huang , Dongxu Li , Qiufa Luo , Congming Ke , Xipeng Xu","doi":"10.1016/j.diamond.2026.113401","DOIUrl":"10.1016/j.diamond.2026.113401","url":null,"abstract":"<div><div>Polycrystalline diamond wafers are valuable for thermal management and battery cooling systems owing to their high thermal conductivity. However, their grinding is challenged by the anisotropic hardness and wear resistance of the constituent grains. This study introduces a mechanochemical grinding method using NiCr alloy metal-bonded wheels, which improves processing performance by suppressing abrasive oxidation. Compared with pure Fe abrasives, the NiCr alloy abrasives reduce the surface roughness of polycrystalline diamond by 18.986 nm and raise the material removal rate to 18.032 nm/min. First-principles calculations show that higher Ni content significantly accelerates the sp<sup>3</sup>-to-sp<sup>2</sup> phase transformation on the diamond surface, promoting the formation of an amorphous carbon layer. This result offers theoretical insight into the role of alloy composition in grinding performance.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113401"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sicheng Tan , Bin He , Xinqing Gao, Jiangtao Huang, Yuanmao Lai, Wang Zhang, Xiaorui Liu, Stephan Handschuh-Wang, Peigang Han
{"title":"Enhanced thermal performances of high-power LED by diamond packaging","authors":"Sicheng Tan , Bin He , Xinqing Gao, Jiangtao Huang, Yuanmao Lai, Wang Zhang, Xiaorui Liu, Stephan Handschuh-Wang, Peigang Han","doi":"10.1016/j.diamond.2026.113352","DOIUrl":"10.1016/j.diamond.2026.113352","url":null,"abstract":"<div><div>A bottleneck for high-power light emitting diodes (LEDs), laser diodes (LDs), and other high-power electronics is heat dissipation. To improve this aspect, in this study, diamond heat spreaders are used in conjunction with bonding enhanced by Ar-ion activation and TiC interlayer prior to metallization to reduce thermal resistance. Indeed, a low thermal resistance of the diamond heat spreader of 0.085 K/W was obtained, while for AlN and Al<sub>2</sub>O<sub>3</sub>, the thermal resistance were 0.35 K/W and 1.16 K/W, respectively. Experimental data and simulations illustrate the enhanced heat dissipation performance of the diamond heat spreader for LEDs, as temperature only reached 55.8 °C at an applied current of 3 A. The results highlight that diamond heat spreaders in conjunction with appropriate bonding strategies are an effective pathway for high-power electronics packaging.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113352"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sabrine Zghal , Ilyes Jedidi , Mohamed Salah Mahmoud , Marc Cretin , Sophie Cerneaux , Makki Abdelmouleh
{"title":"Synthesis of p-n junction via titanate nanobelts grown on graphite/carbon nanotubes for augmented organic pollutant degradation","authors":"Sabrine Zghal , Ilyes Jedidi , Mohamed Salah Mahmoud , Marc Cretin , Sophie Cerneaux , Makki Abdelmouleh","doi":"10.1016/j.diamond.2026.113366","DOIUrl":"10.1016/j.diamond.2026.113366","url":null,"abstract":"<div><div>In this work, titanate nanobelts (TNBs) were successfully grown via hydrothermal synthesis onto the surface of as-prepared carbon graphite/carbon nanotubes composite material. Titanium (IV) butoxide was used as precursor for the synthesis of TNBs, following a basic hydrolysis-condensation sol-gel reaction. Morphological characterization of the nanocomposites by SEM indicated the achieved good growth of TNBs onto the surface of carbon nanotubes (CNTs) and graphite supports. The specific surface area, determined by BET, increased significantly from pure graphite carbon KS44 (6.23 m<sup>2</sup>/g) to carbon support KS44/CNT/TNB enriched with TNBs and CNTs (161.67 m<sup>2</sup>/g). On the other hand, the visible light absorption spectrum increased with TNB-based composites. A remarkable enhancement in absorption in the visible region achieved a 1000% enhancement for KS44/CNT/TNB relative to KS44 alone, which explains the improvement of its photocatalytic degradation capacity of AO7. The results obtained by UV–visible and XPS show that the simultaneous presence of TNBs and CNTs on graphite-based composites (KS44/CNT/TNB) gives the material the necessary properties to be used as an adsorbent and catalyst in wastewater treatment, and in particular for the removal and degradation of azo dyes in aqueous solution.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113366"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yongkang Xin , Jing Lu , Yikun Hu , Shaofeng Huang , Qiufa Luo , Congming Ke , Xipeng Xu
{"title":"Efficient machining method for multi-sheet single-crystal diamond based on self-rotation grinding motion trajectory","authors":"Yongkang Xin , Jing Lu , Yikun Hu , Shaofeng Huang , Qiufa Luo , Congming Ke , Xipeng Xu","doi":"10.1016/j.diamond.2026.113384","DOIUrl":"10.1016/j.diamond.2026.113384","url":null,"abstract":"<div><div>Diamond has emerged as an ideal substrate material for next-generation high-power semiconductor devices due to its exceptional electronic properties. While self-rotating grinding technology demonstrates high-efficiency material removal, its application is hindered by trajectory aggregation effects, which degrade surface accuracy. This study addresses this bottleneck by establishing a grinding trajectory density distribution model to systematically analyze the influence of workpiece placement (position, angle) and substrate size on trajectory uniformity. Combined with experimental investigations into diamond anisotropic removal characteristics, multi-parameter optimization enabled synchronous processing of five (100) orientation diamond substrates. The results indicate an average material removal rate of 1.75 μm/h, with a surface roughness of Sa < 0.5 nm and a surface flatness of PV < 8 nm. This achievement successfully meets the dual objectives of high quality and high efficiency.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113384"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dongsheng Li , Jiajia Li , Chun Li , Yuju Zhao , Chao Ma , Yanting Hu , Xu Feng , Junqiang Niu , Shanshan Yao
{"title":"Sustainable fabrication of hard carbon from longan seeds: Role of thermal treatment in tuning sodium-ion storage behavior","authors":"Dongsheng Li , Jiajia Li , Chun Li , Yuju Zhao , Chao Ma , Yanting Hu , Xu Feng , Junqiang Niu , Shanshan Yao","doi":"10.1016/j.diamond.2026.113377","DOIUrl":"10.1016/j.diamond.2026.113377","url":null,"abstract":"<div><div>Owing to the elemental abundance and cost-effectiveness of sodium, sodium-ion batteries (SIBs) have emerged as an attractive candidate for large-scale energy storage systems. However, the fabrication of high-performance anode materials remains a critical challenge. Among various options, biomass-derived hard carbon has gained significant research interest due to its environmental friendliness, renewability, and tunable microstructure. Herein, the present research focuses on longan seeds-derived hard carbon (LSHC), specifically studying the correlation between its pyrolysis temperature and the microstructure and electrochemical performance. The data indicate that elevating the thermal treatment temperature led to a higher degree of graphitization (structural order) in HC, accompanied by a decline in surface defects and a growth in closed pore volume. A lower defect density led to the suppression of the solid electrolyte interphase (SEI) film formation, while a greater volume of closed pores was responsible for improving the capacity in the plateau region. Moreover, the correlation between pore structure regulation, ion transport dynamics, and electrochemical properties was systematically studied. Longan seeds-derived HC prepared at 1300 °C exhibits a remarkable reversible specific capacity of 287.4 mAh g<sup>−1</sup>, and demonstrates outstanding cycling stability with 82.1% capacity retention (236 mAh g<sup>−1</sup>) after 500 cycles at 2C. Even at a higher current density, the HC exhibits specific discharge capacity of 208 mAh g<sup>−1</sup> at 4C. This work supports regulating the microstructure for biomass-derived hard carbon for tuning sodium ion storage behaviors, which contributes to the sustainable development of biomass resources.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113377"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xinxin Shan , Shuangyi Liu , Qizhen Xiao , Wenhao Xie , Yan Zhuang , Mingyun Guan
{"title":"The novel current collectors of cathode and anode using the ultrathin, flexible and light-weight graphene papers in lithium-ion batteries","authors":"Xinxin Shan , Shuangyi Liu , Qizhen Xiao , Wenhao Xie , Yan Zhuang , Mingyun Guan","doi":"10.1016/j.diamond.2026.113419","DOIUrl":"10.1016/j.diamond.2026.113419","url":null,"abstract":"<div><div>The metal current collectors are necessary components to mechanically hold the electrode material and to conduct electricity in lithium-ion batteries. However, the metal current collectors are heavy and chemically unstable in electrolyte solution. In this paper, we report the use of freestanding, lightweight, highly conductive and ultrathin graphene papers as current collectors of electrodes in lithium-ion batteries. The graphene paper presents excellent chemical and electrochemical stability comparing to that of the commercial Al and Cu foils, which are generally used as conductive substrates in lithium-ion batteries. The cathode and anode with graphene papers as current collectors exhibit the excellent cycle stability and high specific capacity. Meanwhile, the higher energy density can be achieved using the graphene paper as current collector.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113419"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}