高压下sp<sup>3</sup>非晶碳的形成与调控机理研究进展

赵雅娉; 李旭; 尚宇琛; 姚明光; 刘冰冰

doi:10.11858/gywlxb.20261117

高压下sp³非晶碳的形成与调控机理研究进展

doi: 10.11858/gywlxb.20261117

吉林大学物理学院高压与超硬材料全国重点实验室, 吉林长春　130012

基金项目: 国家自然科学基金（W2412075，52225203，12304015）

详细信息

作者简介:
赵雅娉（1997－），女，博士研究生，主要从事高压下碳材料的理论模拟研究. E-mail：zhaoyp23@mails.jlu.edu.cn

李　旭（2000－），男，博士研究生，主要从事高压下碳材料的合成研究. E-mail：xuli22@mails.jlu.edu.cn

通讯作者:
尚宇琛（1994－），男，博士，教授，主要从事新型碳材料的高压合成及性质研究. E-mail：shangyc@jlu.edu.cn

姚明光（1980－），男，博士，教授，主要从事高压下碳材料的新结构与新性质研究. E-mail：yaomg@jlu.edu.cn

中图分类号: O521.2
计量
- 文章访问数: 12
- HTML全文浏览量: 5
- PDF下载量: 1
出版历程
- 收稿日期: 2026-06-15
- 修回日期: 2026-08-07
- 网络出版日期: 2026-09-03

Research Progress on the Formation and Regulation Mechanisms of sp³ Amorphous Carbon under High Pressure

State Key Laboratory of High Pressure and Superhard Materials, College of Physics, Jilin University, Changchun 130012, Jilin, China

摘要

摘要: 自2021年sp³非晶碳块体材料被成功制备以来，其所展现出的超高硬度、各向同性、易加工成型和独特的电子结构等优异特性，在超精密加工和光电探测领域具有重要的应用潜力，引起了学术界对该材料的大量关注。相关研究主要围绕高温高压条件下基于富勒烯制备的sp³非晶碳材料的形成机制、热力学稳定性、结构性能调控以及制备工艺优化等方面展开，不仅深化了对sp³非晶碳形成机理的认识，还推动了其功能化应用的进一步发展。系统总结了相关研究进展，并对sp³非晶碳的大尺寸高质量制备、精密成型及功能应用拓展等未来重点发展方向进行了展望。
- sp³非晶碳 /
- 超硬材料 /
- 高温高压 /
- 富勒烯 /
- 结构调控
Abstract: Since the successful synthesis of bulk sp³ amorphous carbon in 2021, this material has attracted considerable attention owing to its ultrahigh hardness, mechanical isotropy, potential for shaping and machining, and distinctive electronic structure. These features make it a promising candidate for applications in ultra-precision machining and optoelectronic detection. Recent studies have mainly focused on the formation mechanism, thermodynamic stability, structural and property regulation, and synthesis process optimization of sp³ amorphous carbon materials derived from fullerenes under high-pressure and high-temperature conditions. These studies have not only deepened the understanding of the formation mechanism of sp³ amorphous carbon, but also promoted the further development of its functional applications. This review systematically summarizes the relevant research progress and discusses future key directions, including the large-size and high-quality synthesis, precision shaping, and functional application expansion of sp³ amorphous carbon.
- sp³ amorphous carbon /
- superhard materials /
- high temperature and high pressure /
- fullerene /
- structural regulation

HTML全文

图 1 C₆₀的压力-温度结构演化相图^[25]

Figure 1. Pressure-temperature structural evolution phase diagram of C₆₀^[25]

下载: 全尺寸图片幻灯片

图 2 不同尺寸富勒烯的结构演化相图^[27]（粉色表示NC=3（sp²），青色表示NC=4（sp³），红色表示其他原子）

Figure 2. Structural evolution phase diagrams of fullerenes with different sizes^[27] (Atoms are color coded: pink for NC=3 (sp²), cyan for NC=4 (sp³) and red for other.)

下载: 全尺寸图片幻灯片

图 3 sp³非晶碳的热力学稳定性及金刚石晶核生长受阻机制^[28]

Figure 3. Thermodynamic stability of sp³ amorphous carbon and inhibited growth of diamond nuclei^[28]

下载: 全尺寸图片幻灯片

图 4 次晶金刚石成核过程的温度依赖性模拟结果^[29]

Figure 4. Temperature-dependent nucleation of paracrystalline diamond from simulations^[29]

下载: 全尺寸图片幻灯片

图 5 C₇₀在不同温压条件下合成的非晶碳块材样品表征^[15]

Figure 5. Characterization of bulk amorphous carbon samples synthesized from C₇₀ under different pressure-temperature conditions^[15]

下载: 全尺寸图片幻灯片

图 6 由C₇₀和C₆₀前驱体制备的sp³非晶碳样品的局域结构与热导率^[15]

Figure 6. Local structure and thermal conductivity of sp³ amorphous carbon derived from C₇₀ and C₆₀^[15]

下载: 全尺寸图片幻灯片

图 7 氮化硼纳米管和富勒烯混合物前驱体在25 GPa和不同温度下合成样品的XRD谱与力学性能^[38]

Figure 7. XRD patterns and mechanical properties of samples synthesized from a mixture of boron nitride nanotubes and fullerenes as precursors at 25 GPa under different temperatures^[38]

下载: 全尺寸图片幻灯片

图 8 非晶金刚石-氮化硼复合材料的压痕断裂行为：(a) 在25 GPa和1400 ℃条件下获得的样品压痕区域的断裂形貌，(b)～(c) 图8(a)的局部放大图，(d) 非晶金刚石阻碍裂纹尖端扩展示意图^[38]

Figure 8. Indentation fracture behavior of the amorphous diamond-boron nitride composite material: (a) fracture morphology in the indentation area of the sample obtained at 25 GPa and 1400 ℃; (b)−(c) zooming in images of Fig. 8(a); (d) schematic diagram showing amorphous diamond hindering crack-tip propagation^[38]

下载: 全尺寸图片幻灯片

图 9 样品组装示意图和16 GPa、1600 K下合成的次晶金刚石样品照片^[39]

Figure 9. Schematic diagram of the sample assembly, and the optical images of paracrystalline diamond samples recovered from 16 GPa and 1600 K^[39]

下载: 全尺寸图片幻灯片

图 10 C₆₀在单轴加压和静水压下的结构转变过程的分子动力学模拟结果^[39]

Figure 10. Molecular dynamics simulation of the structural transformation of C₆₀ under uniaxial compression and hydrostatic pressure^[39]

下载: 全尺寸图片幻灯片

表 1 不同制备方法获得的非晶碳材料的结构与性能比较^{[6, 9, 12–13, 15]}

Table 1. Comparison of structure and properties of amorphous carbon materials obtained by different preparation methods^{[6, 9, 12–13, 15]}

Preparation method	Precursor	Pressure-temperature (PT) condition	Sample form and size	Structural characteristic	Mechanical property
Vapor deposition	Hydrocarbon gas, graphite	Ambient PT	Thin film	sp²-sp³ bonding (sp³ content≤88%); partially hydrogenated	Maximum hardness of approximately 80 GPa
Shock compression	Fullerene C₆₀	Transient HTHP (55 GPa, 2000 K)	Micron-sized fragment	Nearly fully sp³-hybridized, multiphase containing crystalline diamond components	Systematic mechanical property data are still lacking
Laser-heated DAC	Glassy carbon	Static HTHP (50 GPa, 1800 K)	Micron-sized sample	Fully sp³-hybridized	Bulk modulus of 377.6 GPa (theoretically)
Large-volume press	Fullerene C₆₀	Static HTHP (27 GPa, 1173−1273 K)	Millimeter-sized bulk sample	Nearly fully sp³-hybridized (95.1%), containing DLC clusters with short- and medium-range order	Vickers hardness of 101.9 GPa and elastic modulus of 1182 GPa
Large-volume press	Fullerene C₇₀	Static HTHP (30 GPa, 1373 K)	Millimeter-sized bulk sample	Nearly fully sp³-hybridized (96.2%), containing DLC clusters with short- and medium-range order	Vickers hardness of 109.8 GPa

下载: 导出CSV

参考文献(39)

[1]	ISBERG J, HAMMERSBERG J, JOHANSSON E, et al. High carrier mobility in single-crystal plasma-deposited diamond [J]. Science, 2002, 297(5587): 1670–1672. doi: 10.1126/science.1074374
[2]	WORT C J H, BALMER R S. Diamond as an electronic material [J]. Materials Today, 2008, 11(1/2): 22–28. doi: 10.1016/S1369-7021(07)70349-8
[3]	HUANG Q, YU D L, XU B, et al. Nanotwinned diamond with unprecedented hardness and stability [J]. Nature, 2014, 510(7504): 250–253. doi: 10.1038/nature13381
[4]	TELLING R H, PICKARD C J, PAYNE M C, et al. Theoretical strength and cleavage of diamond [J]. Physical Review Letters, 2000, 84(22): 5160–5163. doi: 10.1103/PhysRevLett.84.5160
[5]	NIE A M, BU Y Q, LI P H, et al. Approaching diamond’s theoretical elasticity and strength limits [J]. Nature Communications, 2019, 10(1): 5533. doi: 10.1038/s41467-019-13378-w
[6]	SHANG Y C, LIU Z D, DONG J J, et al. Ultrahard bulk amorphous carbon from collapsed fullerene [J]. Nature, 2021, 599(7886): 599–604. doi: 10.1038/s41586-021-03882-9
[7]	LIN Y, ZHANG L, MAO H K, et al. Amorphous diamond: a high-pressure superhard carbon allotrope [J]. Physical Review Letters, 2011, 107(17): 175504. doi: 10.1103/PhysRevLett.107.175504
[8]	ZHANG S S, LI Z H, LUO K, et al. Discovery of carbon-based strongest and hardest amorphous material [J]. National Science Review, 2022, 9(1): nwab140. doi: 10.1093/nsr/nwab140
[9]	ROBERTSON J. Diamond-like amorphous carbon [J]. Materials Science and Engineering R: Reports, 2002, 37(4): 129–281. doi: 10.1016/S0927-796X(02)00005-0
[10]	ROBERTSON J. Plasma deposition of diamond-like carbon [J]. Japanese Journal of Applied Physics, 2011, 50(1S1): 01AF01. doi: 10.1143/JJAP.50.01AF01
[11]	ROBERTSON J. Comparison of diamond-like carbon to diamond for applications [J]. Physica Status Solidi A, 2008, 205(9): 2233–2244. doi: 10.1002/pssa.200879720
[12]	HIRAI H, TERAUCHI M, TANAKA M, et al. Band gap of essentially fourfold-coordinated amorphous diamond synthesized from C₆₀ fullerene [J]. Physical Review B, 1999, 60(9): 6357–6361. doi: 10.1103/PhysRevB.60.6357
[13]	ZENG Z D, YANG L X, ZENG Q S, et al. Synthesis of quenchable amorphous diamond [J]. Nature Communications, 2017, 8(1): 322. doi: 10.1038/s41467-017-00395-w
[14]	TANG H, YUAN X H, CHENG Y, et al. Synthesis of paracrystalline diamond [J]. Nature, 2021, 599(7886): 605–610. doi: 10.1038/s41586-021-04122-w
[15]	SHANG Y C, YAO M G, LIU Z D, et al. Enhancement of short/medium-range order and thermal conductivity in ultrahard sp³ amorphous carbon by C₇₀ precursor [J]. Nature Communications, 2023, 14(1): 7860. doi: 10.1038/s41467-023-42195-5
[16]	BILLINGE S J L, LEVIN I. The problem with determining atomic structure at the nanoscale [J]. Science, 2007, 316(5824): 561–565. doi: 10.1126/science.1135080
[17]	MCCULLOCH D G, MCKENZIE D R, GORINGE C M. Ab initio simulations of the structure of amorphous carbon [J]. Physical Review B, 2000, 61(3): 2349–2355. doi: 10.1103/PhysRevB.61.2349
[18]	MOSELER M, RIEDEL H, GUMBSCH P, et al. Understanding of the phase transformation from fullerite to amorphous carbon at the microscopic level [J]. Physical Review Letters, 2005, 94(16): 165503. doi: 10.1103/PhysRevLett.94.165503
[19]	UNKE O T, CHMIELA S, SAUCEDA H E, et al. Machine learning force fields [J]. Chemical Reviews, 2021, 121(16): 10142–10186. doi: 10.1021/acs.chemrev.0c01111
[20]	BEHLER J. Perspective: machine learning potentials for atomistic simulations [J]. The Journal of Chemical Physics, 2016, 145(17): 170901. doi: 10.1063/1.4966192
[21]	ROWE P, DERINGER V L, GASPAROTTO P, et al. An accurate and transferable machine learning potential for carbon [J]. The Journal of Chemical Physics, 2020, 153(3): 034702. doi: 10.1063/5.0005084
[22]	ZHANG L F, HAN J Q, WANG H, et al. Deep potential molecular dynamics: a scalable model with the accuracy of quantum mechanics [J]. Physical Review Letters, 2018, 120(14): 143001. doi: 10.1103/PhysRevLett.120.143001
[23]	ZHU Y B, FANG Z Y, ZHANG Z T, et al. Discontinuous phase diagram of amorphous carbons [J]. National Science Review, 2024, 11(4): nwae051. doi: 10.1093/nsr/nwae051
[24]	ZENG Z D, SHENG H W, LOU H B, et al. Mechanism of thermally assisted stabilization of pressure-induced sp³ bonds in amorphous carbon [J]. Physical Review B, 2024, 109(21): 214113. doi: 10.1103/PhysRevB.109.214113
[25]	ZHAO Y F, QIAN C, GLADKIKH V, et al. Simulated pressure-temperature carbon structure map obtained through uniaxial compression of bulk C₆₀ [J]. Carbon, 2023, 202: 554–560. doi: 10.1016/j.carbon.2022.11.007
[26]	NI K, PAN F, ZHU Y W. Structural evolution of C₆₀ molecular crystal predicted by neural network potential [J]. Advanced Functional Materials, 2022, 32(42): 2203894. doi: 10.1002/adfm.202203894
[27]	JIN D, LI X Y, DING S C, et al. sp²-sp³ hybridized carbons from curved carbon precursors of fullerenes and single-walled carbon nanotubes [J]. ACS Materials Letters, 2025, 7(4): 1179–1186. doi: 10.1021/acsmaterialslett.4c02264
[28]	ZHAO Y F, ZHAO C, WANG X, et al. Stability of sp³ hybridized amorphous carbon and its transformation to nanodiamond [J]. Small Methods, 2025, 9(8): 2500294. doi: 10.1002/smtd.202500294
[29]	ZHANG Z T, FANG Z Y, WU H A, et al. Temperature-dependent paracrystalline nucleation in atomically disordered diamonds [J]. Nano Letters, 2024, 24(1): 312–318. doi: 10.1021/acs.nanolett.3c04037
[30]	YANG Y, ZHOU J H, ZHU F, et al. Determining the three-dimensional atomic structure of an amorphous solid [J]. Nature, 2021, 592(7852): 60–64. doi: 10.1038/s41586-021-03354-0
[31]	HIRATA A, GUAN P F, FUJITA T, et al. Direct observation of local atomic order in a metallic glass [J]. Nature Materials, 2011, 10(1): 28–33. doi: 10.1038/nmat2897
[32]	SHENG H W, LUO W K, ALAMGIR F M, et al. Atomic packing and short-to-medium-range order in metallic glasses [J]. Nature, 2006, 439(7075): 419–425. doi: 10.1038/nature04421
[33]	ELLIOTT S R. Medium-range structural order in covalent amorphous solids [J]. Nature, 1991, 354(6353): 445–452. doi: 10.1038/354445a0
[34]	CHENG Y Q, MA E. Atomic-level structure and structure-property relationship in metallic glasses [J]. Progress in Materials Science, 2011, 56(4): 379–473. doi: 10.1016/j.pmatsci.2010.12.002
[35]	MA E. Tuning order in disorder [J]. Nature Materials, 2015, 14(6): 547–552. doi: 10.1038/nmat4300
[36]	HOFMANN D C, SUH J Y, WIEST A, et al. Designing metallic glass matrix composites with high toughness and tensile ductility [J]. Nature, 2008, 451(7182): 1085–1089. doi: 10.1038/nature06598
[37]	PENG H L, LI M Z, WANG W H. Structural signature of plastic deformation in metallic glasses [J]. Physical Review Letters, 2011, 106(13): 135503. doi: 10.1103/PhysRevLett.106.135503
[38]	LI J K, NIU G L, MU P Y, et al. Amorphous diamond embedded in dense boron nitride with excellent mechanical properties [J]. Microstructures, 2024, 4(1): 2024010. doi: 10.20517/microstructures.2023.54
[39]	PAN Y, YUAN X H, CHENG Y, et al. Uniaxiality-induced reduced-pressure synthesis of ultrahard paracrystalline diamond [J]. Advanced Materials, 2025, 37(27): 2500037. doi: 10.1002/adma.202500037

施引文献

资源附件(0)

访问统计

图(10) / 表(1)

计量

文章访问数: 12
HTML全文浏览量: 5
PDF下载量: 1

高压下sp3非晶碳的形成与调控机理研究进展

doi: 10.11858/gywlxb.20261117

作者简介: 赵雅娉（1997－），女，博士研究生，主要从事高压下碳材料的理论模拟研究. E-mail：zhaoyp23@mails.jlu.edu.cn 李 旭（2000－），男，博士研究生，主要从事高压下碳材料的合成研究. E-mail：xuli22@mails.jlu.edu.cn

通讯作者: 尚宇琛（1994－），男，博士，教授，主要从事新型碳材料的高压合成及性质研究. E-mail：shangyc@jlu.edu.cn 姚明光（1980－），男，博士，教授，主要从事高压下碳材料的新结构与新性质研究. E-mail：yaomg@jlu.edu.cn

计量

出版历程

Research Progress on the Formation and Regulation Mechanisms of sp3 Amorphous Carbon under High Pressure

计量

出版历程

目录

高压下sp³非晶碳的形成与调控机理研究进展

作者简介:
赵雅娉（1997－），女，博士研究生，主要从事高压下碳材料的理论模拟研究. E-mail：zhaoyp23@mails.jlu.edu.cn

李　旭（2000－），男，博士研究生，主要从事高压下碳材料的合成研究. E-mail：xuli22@mails.jlu.edu.cn

通讯作者:
尚宇琛（1994－），男，博士，教授，主要从事新型碳材料的高压合成及性质研究. E-mail：shangyc@jlu.edu.cn

姚明光（1980－），男，博士，教授，主要从事高压下碳材料的新结构与新性质研究. E-mail：yaomg@jlu.edu.cn

Research Progress on the Formation and Regulation Mechanisms of sp³ Amorphous Carbon under High Pressure