Showing papers on "Diamond published in 2013"
TL;DR: It is demonstrated that illuminated hydrogen-terminated diamond yields facile electron emission into water, thus inducing reduction of N₂ to NH₃ at ambient temperature and pressure.
Abstract: The photocatalytic reduction of N₂ to NH₃ is typically hampered by poor binding of N₂ to catalytic materials and by the very high energy of the intermediates involved in this reaction. Solvated electrons directly introduced into the reactant solution can provide an alternative pathway to overcome such limitations. Here we demonstrate that illuminated hydrogen-terminated diamond yields facile electron emission into water, thus inducing reduction of N₂ to NH₃ at ambient temperature and pressure. Transient absorption measurements at 632 nm reveal the presence of solvated electrons adjacent to the diamond after photoexcitation. Experiments using inexpensive synthetic diamond samples and diamond powder show that photocatalytic activity is strongly dependent on the surface termination and correlates with the production of solvated electrons. The use of diamond to eject electrons into a reactant liquid represents a new paradigm for photocatalytic reduction, bringing electrons directly to reactants without requiring molecular adsorption to the surface.
777 citations
TL;DR: It is shown that the NV center senses the nanotesla field fluctuations from the protons, enabling both time-domain and spectroscopic NMR measurements on the nanometer scale.
Abstract: Extension of nuclear magnetic resonance (NMR) to nanoscale samples has been a longstanding challenge because of the insensitivity of conventional detection methods. We demonstrated the use of an individual, near-surface nitrogen-vacancy (NV) center in diamond as a sensor to detect proton NMR in an organic sample located external to the diamond. Using a combination of electron spin echoes and proton spin manipulation, we showed that the NV center senses the nanotesla field fluctuations from the protons, enabling both time-domain and spectroscopic NMR measurements on the nanometer scale.
727 citations
TL;DR: Application of nuclear magnetic resonance (NMR) spectroscopy to nanoscale samples has remained an elusive goal, achieved only with great experimental effort at subkelvin temperatures.
Abstract: Application of nuclear magnetic resonance (NMR) spectroscopy to nanoscale samples has remained an elusive goal, achieved only with great experimental effort at subkelvin temperatures. We demonstrated detection of NMR signals from a (5-nanometer) 3 voxel of various fluid and solid organic samples under ambient conditions. We used an atomic-size magnetic field sensor, a single nitrogen-vacancy defect center, embedded ~7 nanometers under the surface of a bulk diamond to record NMR spectra of various samples placed on the diamond surface. Its detection volume consisted of only 10 4 nuclear spins with a net magnetization of only 10 2 statistically polarized spins.
699 citations
TL;DR: It is shown that hardening of cBN is continuous with decreasing twin thickness down to the smallest sizes investigated, contrasting with the expected reverse Hall–Petch effect below a critical grain size or the twin thickness of ∼10–15 nm found in metals and alloys.
Abstract: The hardness, toughness and chemical stability of the well-known superhard material cubic boron nitride have been improved by using a synthesis technique based on specially prepared ‘onion-like’ precursor materials. Superhard polycrystalline cubic boron nitride, second only to diamond in hardness, is superior to diamond in terms of thermal and chemical stability and is used widely as an abrasive. The hardness of many materials can be improved by decreasing the grain size, and here Yongjun Tian and colleagues use this principle in a new synthesis technique — based on specially prepared 'onion-like' precursor materials — capable of increasing the hardness of cubic boron nitride. The structure of the resulting polycrystalline material is dominated by nanometre-scale twin domains, yielding a solid combining ultrahigh hardness (exceeding that of a synthetic diamond single crystal) with a high oxidization temperature and extreme fracture toughness. If nanotwins at similar scales can be reproduced in polycrystalline diamond, it may be possible to raise diamond itself to new levels of hardness and stability. Cubic boron nitride (cBN) is a well known superhard material that has a wide range of industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by virtue of the Hall–Petch effect—the tendency for hardness to increase with decreasing grain size1,2. Polycrystalline cBN materials are often synthesized by using the martensitic transformation of a graphite-like BN precursor, in which high pressures and temperatures lead to puckering of the BN layers3. Such approaches have led to synthetic polycrystalline cBN having grain sizes as small as ∼14 nm (refs 1, 2, 4, 5). Here we report the formation of cBN with a nanostructure dominated by fine twin domains of average thickness ∼3.8 nm. This nanotwinned cBN was synthesized from specially prepared BN precursor nanoparticles possessing onion-like nested structures with intrinsically puckered BN layers and numerous stacking faults. The resulting nanotwinned cBN bulk samples are optically transparent with a striking combination of physical properties: an extremely high Vickers hardness (exceeding 100 GPa, the optimal hardness of synthetic diamond), a high oxidization temperature (∼1,294 °C) and a large fracture toughness (>12 MPa m1/2, well beyond the toughness of commercial cemented tungsten carbide, ∼10 MPa m1/2). We show that hardening of cBN is continuous with decreasing twin thickness down to the smallest sizes investigated, contrasting with the expected reverse Hall–Petch effect below a critical grain size or the twin thickness of ∼10–15 nm found in metals and alloys.
614 citations
TL;DR: This work provides new insight into the nature of thermal transport at a quantitative level and predicts a new ultrahigh κ material of potential interest for passive cooling applications.
Abstract: We have calculated the thermal conductivities (κ) of cubic III-V boron compounds using a predictive first principles approach. Boron arsenide is found to have a remarkable room temperature κ over 2000 W m(-1) K(-1); this is comparable to those in diamond and graphite, which are the highest bulk values known. We trace this behavior in boron arsenide to an interplay of certain basic vibrational properties that lie outside of the conventional guidelines in searching for high κ materials, and to relatively weak phonon-isotope scattering. We also find that cubic boron nitride and boron antimonide will have high κ with isotopic purification. This work provides new insight into the nature of thermal transport at a quantitative level and predicts a new ultrahigh κ material of potential interest for passive cooling applications.
474 citations
TL;DR: In this paper, a novel nanoscale temperature sensing technique based on optically detected electron spin resonance in single atomic defects in diamonds has been proposed to measure the heat produced by chemical interactions involving a few or single molecules.
Abstract: Measuring local temperature with a spatial resolution on the order of a few nanometers has a wide range of applications in the semiconductor industry and in material and life sciences. For example, probing temperature on the nanoscale with high precision can potentially be used to detect small, local temperature changes like those caused by chemical reactions or biochemical processes. However, precise nanoscale temperature measurements have not been realized so far owing to the lack of adequate probes. Here we experimentally demonstrate a novel nanoscale temperature sensing technique based on optically detected electron spin resonance in single atomic defects in diamonds. These diamond sensor sizes range from a micrometer down to a few tens of nanometers. We achieve a temperature noise floor of 5 mK/Hz(1/2) for single defects in bulk sensors. Using doped nanodiamonds as sensors the temperature noise floor is 130 mK/Hz(1/2) and accuracies down to 1 mK for nanocrystal sizes and therefore length scales of a few tens of nanometers. This combination of precision and position resolution, combined with the outstanding sensor photostability, should allow the measurement of the heat produced by chemical interactions involving a few or single molecules even in heterogeneous environments like cells.
456 citations
TL;DR: A magnetometer focused on nitrogen-vacancy centres in diamond can image the magnetic dipole field of a single target electron spin at room temperature and ambient pressure as discussed by the authors, which can be used to measure the magnetic field of an electron spin.
Abstract: A magnetometer focused on nitrogen-vacancy centres in diamond can image the magnetic dipole field of a single target electron spin at room temperature and ambient pressure.
399 citations
TL;DR: For example, Harte et al. as mentioned in this paper found that diamond is a rare mineral, occurring at the part-per-billion level even within the most diamondiferous volcanic host rock although some rare eclogites have been known to contain 10−15% diamond.
Abstract: ### Introduction
Earth’s carbon, derived from planetesimals in the 1 AU region during accretion of the Solar System, still retains similarities to carbon found in meteorites (Marty et al. 2013) even after 4.57 billion years of geological processing. The range in isotopic composition of carbon on Earth versus meteorites is nearly identical and, for both, diamond is a common, if volumetrically minor, carbon mineral (Haggerty 1999). Diamond is one of the three native carbon minerals on Earth (the other two being graphite and lonsdaleite). It can crystallize throughout the mantle below about 150 km and can occur metastably in the crust. Diamond is a rare mineral, occurring at the part-per-billion level even within the most diamondiferous volcanic host rock although some rare eclogites have been known to contain 10–15% diamond. As a trace mineral it is unevenly distributed and, except for occurrences in metamorphosed crustal rocks, it is a xenocrystic phase within the series of volcanic rocks (kimberlites, lamproites, ultramafic lamprohyres), which bring it to the surface and host it. The occurrence of diamond on Earth’s surface results from its unique resistance to alteration/dissolution and the sometimes accidental circumstances of its sampling by the volcanic host rock. Diamonds are usually the chief minerals left from their depth of formation, because intact diamondiferous mantle xenoliths are rare.
Diamond has been intensively studied over the last 40 years to provide extraordinary information on our planet’s interior. For example, from the study of its inclusions, diamond is recognized as the only material sampling the “very deep” mantle to depths exceeding 800 km (Harte et al. 1999; McCammon 2001; Stachel and Harris 2009; Harte 2010) although most crystals (~95%) derive from shallower depths (150 to 250 km). Diamonds are less useful in determining carbon fluxes on Earth because they provide only a small, …
383 citations
TL;DR: The crystal structure of a new covalent organic framework, termed COF-320, is determined by single-crystal 3D electron Diffraction using the rotation electron diffraction (RED) method for data collection.
Abstract: The crystal structure of a new covalent organic framework, termed COF-320, is determined by single-crystal 3D electron diffraction using the rotation electron diffraction (RED) method for data collection. The COF crystals are prepared by an imine condensation of tetra-(4-anilyl)methane and 4,4′-biphenyldialdehyde in 1,4-dioxane at 120 °C to produce a highly porous 9-fold interwoven diamond net. COF-320 exhibits permanent porosity with a Langmuir surface area of 2400 m2/g and a methane total uptake of 15.0 wt % (176 cm3/cm3) at 25 °C and 80 bar. The successful determination of the structure of COF-320 directly from single-crystal samples is an important advance in the development of COF chemistry.
330 citations
01 Jan 2013
284 citations
TL;DR: It is shown that spin dephasing and relaxation can be largely suppressed, allowing for substantial spin squeezing under realistic experimental conditions.
Abstract: We propose and analyze a novel mechanism for long-range spin-spin interactions in diamond nanostructures. The interactions between electronic spins, associated with nitrogen-vacancy centers in diamond, are mediated by their coupling via strain to the vibrational mode of a diamond mechanical nanoresonator. This coupling results in phonon-mediated effective spin-spin interactions that can be used to generate squeezed states of a spin ensemble. We show that spin dephasing and relaxation can be largely suppressed, allowing for substantial spin squeezing under realistic experimental conditions. Our approach has implications for spin-ensemble magnetometry, as well as phonon-mediated quantum information processing with spin qubits.
TL;DR: Direct coupling between phonons and diamond nitrogen-vacancy center spins is demonstrated by driving spin transitions with mechanically generated harmonic strain at room temperature, verifying that NV center spins are driven mechanically.
Abstract: We demonstrate direct coupling between phonons and diamond nitrogen-vacancy (NV) center spins by driving spin transitions with mechanically generated harmonic strain at room temperature. The amplitude of the mechanically driven spin signal varies with the spatial periodicity of the stress standing wave within the diamond substrate, verifying that we drive NV center spins mechanically. These spin-phonon interactions could offer a route to quantum spin control of magnetically forbidden transitions, which would enhance NV-based quantum metrology, grant access to direct transitions between all of the spin-1 quantum states of the NV center, and provide a platform to study spin-phonon interactions at the level of a few interacting spins.
TL;DR: Omini and Sparavigna as mentioned in this paper presented a first-principles theoretical approach for evaluating the lattice thermal conductivity based on the exact solution of the Boltzmann transport equation.
Abstract: We present a first-principles theoretical approach for evaluating the lattice thermal conductivity based on the exact solution of the Boltzmann transport equation. We use the variational principle and the conjugate gradient scheme, which provide us with an algorithm faster than the one previously used in literature and able to always converge to the exact solution [Omini and Sparavigna, Physica B: Condens. Matter 212, 101 (1995)]. Three-phonon normal and umklapp collisions, isotope scattering, and border effects are rigorously treated in the calculation. Good agreement with experimental data for diamond is found. Moreover we show that by growing more enriched diamond samples it is possible to achieve values of thermal conductivity up to three times larger than those commonly observed in isotopically enriched diamond samples with $99.93%$ C${}^{12}$ and $0.07$ C${}^{13}$.
TL;DR: A technique for coupling single nitrogen vacancy centers to suspended diamond photonic crystal cavities with quality factors up to 6000 is described and demonstrated and an enhancement of the NV center's zero-phonon line fluorescence is presented in low-temperature measurements.
Abstract: The realization of efficient optical interfaces for solid-state atom-like systems is an important problem in quantum science with potential applications in quantum communications and quantum information processing. We describe and demonstrate a technique for coupling single nitrogen vacancy (NV) centers to suspended diamond photonic crystal cavities with quality factors up to 6000. Specifically, we present an enhancement of the NV center's zero-phonon line fluorescence by a factor of ~ 7 in low-temperature measurements.
Journal Article•
TL;DR: In this paper, the authors demonstrate nanometer-precision depth control of nitrogen-vacancy (NV) center creation near the surface of synthetic diamond using an in situ nitrogen delta-doping technique during plasmaenhanced chemical vapor deposition.
Abstract: We demonstrate nanometer-precision depth control of nitrogen-vacancy (NV) center creation near the surface of synthetic diamond using an in situ nitrogen delta-doping technique during plasma-enhanced chemical vapor deposition. Despite their proximity to the surface, doped NV centers with depths (d) ranging from 5 to 100 nm display long spin coherence times, T2 > 100 μs at d = 5 nm and T2 > 600 μs at d ≥ 50 nm. The consistently long spin coherence observed in such shallow NV centers enables applications such as atomic-scale external spin sensing and hybrid quantum architectures.
TL;DR: In this paper, the authors investigated the temperature-dependent fine structure of the zero-phonon line (ZPL) of the SiV centres in chemical vapour deposition (CVD) nanodiamonds on iridium and an ensemble of SiV centers in a high-quality, low-stress CVD diamond film.
Abstract: We study single silicon vacancy (SiV) centres in chemical vapour deposition (CVD) nanodiamonds on iridium as well as an ensemble of SiV centres in a high-quality, low-stress CVD diamond film by using temperature-dependent luminescence spectroscopy in the temperature range 5?295?K. We investigate in detail the temperature-dependent fine structure of the zero-phonon line (ZPL) of the SiV centres. The ZPL transition is affected by inhomogeneous as well as temperature-dependent homogeneous broadening and blue shifts by about 20?cm?1 upon cooling from room temperature to 5?K. We employ excitation power-dependent g(2) measurements to explore the temperature-dependent internal population dynamics of single SiV centres and infer mostly temperature-independent dynamics.
TL;DR: The present method allows for the formation of NV(-) in such a thin layer even when the surface is terminated by hydrogen atoms, and the suitability for nanoscale NMR is demonstrated by measuring the fluctuating field from ~10(4) proton nuclei placed on top of the 5 nm diamond film.
Abstract: We report successful introduction of negatively charged nitrogen-vacancy (NV(-)) centers in a 5 nm thin, isotopically enriched ([(12)C] = 99.99%) diamond layer by CVD. The present method allows for the formation of NV(-) in such a thin layer even when the surface is terminated by hydrogen atoms. NV(-) centers are found to have spin coherence times of between T2 ~ 10-100 μs at room temperature. Changing the surface termination to oxygen or fluorine leads to a slight increase in the NV(-) density, but not to any significant change in T2. The minimum detectable magnetic field estimated by this T2 is 3 nT after 100 s of averaging, which would be sufficient for the detection of nuclear magnetic fields exerted by a single proton. We demonstrate the suitability for nanoscale NMR by measuring the fluctuating field from ~10(4) proton nuclei placed on top of the 5 nm diamond film.
TL;DR: The split silicon-vacancy (SiV) defect in diamond is an electrically and optically active color center as discussed by the authors, which can be detected at the single defect level.
Abstract: The split silicon-vacancy (SiV) defect in diamond is an electrically and optically active color center. Recently, it has been shown that this color center is bright and can be detected at the single defect level. In addition, the SiV defect shows a nonzero electronic spin ground state that potentially makes this defect an alternative candidate for quantum optics and metrology applications beside the well-known nitrogen-vacancy color center in diamond. However, the electronic structure of the defect, the nature of optical excitations and other related properties are not well understood. Here we present advanced ab initio study on SiV defect in diamond. We determine the formation energies, charge transition levels, and the nature of excitations of the defect. Our study unravels the origin of the dark or shelving state for the negatively charged SiV defect associated with the 1.68-eV photoluminescence center.
TL;DR: A pulse protocol is used to monitor the time evolution of the (13)C ensemble in the vicinity of a nitrogen-vacancy centre and it is found that the amplitude of the correlation signal exhibits a sharp dependence on the applied magnetic field.
Abstract: The spin states associated with nitrogen vacancies in diamond could be useful in the development of solid-state quantum information processing. Laraoui et al. resolve the temporal dynamics of spins associated with C-13 atoms near such vacancies to better understand and perhaps better exploit their behaviour.
TL;DR: A solid-state gyroscope based on ensembles of negatively charged nitrogen-vacancy (NV-) centers in diamond and methods of detection are provided in this article.
Abstract: A solid-state gyroscope apparatus based on ensembles of negatively charged nitrogen-vacancy (NV-) centers in diamond and methods of detection are provided. In one method, rotation of the NV- symmetry axis will induce Berry phase shifts in the NV- electronic ground-state coherences proportional to the solid angle subtended by the symmetry axis. A second method uses a modified Ramsey scheme where Berry phase shifts in the 14N hyperfine sublevels are employed.
TL;DR: The redox mechanism revealed in this study is used to explain the contrasting heterogeneity of natural diamonds, as seen in the composition of inclusions, carbon isotopic composition, and nitrogen impurity content.
Abstract: Subduction tectonics imposes an important role in the evolution of the interior of the Earth and its global carbon cycle; however, the mechanism of the mantle–slab interaction remains unclear. Here, we demonstrate the results of high-pressure redox-gradient experiments on the interactions between Mg-Ca-carbonate and metallic iron, modeling the processes at the mantle–slab boundary; thereby, we present mechanisms of diamond formation both ahead of and behind the redox front. It is determined that, at oxidized conditions, a low-temperature Ca-rich carbonate melt is generated. This melt acts as both the carbon source and crystallization medium for diamond, whereas at reduced conditions, diamond crystallizes only from the Fe-C melt. The redox mechanism revealed in this study is used to explain the contrasting heterogeneity of natural diamonds, as seen in the composition of inclusions, carbon isotopic composition, and nitrogen impurity content.
TL;DR: Alumina polishing of lapped, NDC free, freestanding, BDD electrodes was found to be an effective way to produce well-defined, stable, and reproducible surfaces, which support fast (reversible) HET for Fe(CN)6(4-) electrolysis, the first time this has been reported at an oxygen-terminated surface.
Abstract: In order to produce polycrystalline oxygen-terminated boron-doped diamond (BDD) electrodes suitable for electroanalysis (i.e., widest solvent window, lowest capacitive currents, stable and reproducible current responses, and capable of demonstrating fast electron transfer) for outer sphere redox couples, the following factors must be considered. The material must contain enough boron that the electrode shows metal-like conductivity; electrical measurements demonstrate that this is achieved at [B] > 1020 B atoms cm–3. Even though BDD contains a lower density of states than a metal, it is not necessary to use extreme doping levels to achieve fast heterogeneous electron transfer (HET). An average [B] ∼ 3 × 1020 B atoms cm–3 was found to be optimal; increasing [B] results in higher capacitive values and increases the likelihood of nondiamond carbon (NDC) incorporation. Hydrogen-termination causes a semiconducting BDD electrode to behave metal-like due to the additional surface conductivity hydrogen terminatio...
TL;DR: In this paper, an ensemble of nitrogen-vacancy centers in diamond was measured for different light powers and microwave powers, and the contrast and linewidth of the magnetic-resonance signals were extracted.
Abstract: We investigate optically detected magnetic resonance signals from an ensemble of nitrogen-vacancy centers in diamond. The signals are measured for different light powers and microwave powers, and the contrast and linewidth of the magnetic-resonance signals are extracted. For a wide range of experimental settings of the microwave and light powers, the linewidth decreases with increasing light power, and more than a factor of 2 ``light narrowing'' is observed. Furthermore, we identify that spin-spin interaction between nitrogen-vacancy centers and substitutional nitrogen atoms in the diamond leads to changes in the line shape and the linewidth of the optically detected magnetic resonance signals. Finally, the importance of the light-narrowing effect for optimizing the sensitivity of magnetic-field measurements is discussed.
TL;DR: A tetragonal phase of BN is proposed which is both dynamically stable and metallic and can lead to materials beyond conventional ceramics as well as to materials with potential for applications in electronic devices.
Abstract: Boron nitride (BN) and carbon are chemical analogues of each other and share similar structures such as one-dimensional nanotubes, two-dimensional nanosheets characterized by sp(2) bonding, and three-dimensional diamond structures characterized by sp(3) bonding. However, unlike carbon which can be metallic in one, two, and three dimensions, BN is an insulator, irrespective of its structure and dimensionality. On the basis of state-of-the-art theoretical calculations, we propose a tetragonal phase of BN which is both dynamically stable and metallic. Analysis of its band structure, density of states, and electron localization function confirms the origin of the metallic behavior to be due to the delocalized B 2p electrons. The metallicity exhibited in the studied three-dimensional BN structures can lead to materials beyond conventional ceramics as well as to materials with potential for applications in electronic devices.
TL;DR: The cohesive energy of a newly proposed graphyne can be accurately estimated with the carbon-carbon bond energies determined from the cohesive energies of graphene and three different graphynes considered here.
Abstract: We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including $sp^3$-bonded diamond, $sp^2$-bonded graphene, $sp$-$sp^2$ hybridized graphynes, and $sp$-bonded carbyne. The computed cohesive energies of diamond and graphene are found to be in excellent agreement with the corresponding values determined experimentally for diamond and graphite, respectively, when the zero-point energies, along with the interlayer binding in the case of graphite, are included. We have also found that the cohesive energy of graphyne decreases systematically as the ratio of $sp$-bonded carbon atoms increases. The cohesive energy of $\gamma$-graphyne, the most energetically-stable graphyne, turns out to be 6.766(6) eV/atom, which is smaller than that of graphene by 0.698(12) eV/atom. Experimental difficulty in synthesizing graphynes could be explained by their significantly smaller cohesive energies. Finally we conclude that the cohesive energy of a newly-proposed graphyne can be accurately estimated with the carbon-carbon bond energies determined from the cohesive energies of graphene and three different graphynes considered here.
TL;DR: In this paper, a molecular dynamics simulation has been adopted to arrive at a phenomenological understanding of the wear mechanism of diamond tools against single crystal silicon in the single point diamond turning (SPDT) process.
24 Apr 2013
TL;DR: In this article, the authors describe the intrinsic optical properties of diamond and its properties in terms of properties, properties, and applications, such as: 1. Intrinsic Optical Properties of Diamond 2. Optical Quality Diamond Grown by Chemical Vapour Deposition 3. Polishing and shaping of Mono-Crystalline Diamond 4. Refractive and Diffractive Diamond Optics 5. Nitrogen-Vacancy Colour Centres in Diamond: Properties, Synthesis and Applications 6. n-Type Diamond Growth and Homoepitaxial Diamond Junction Devices 7. Surface
Abstract: 1. Intrinsic Optical Properties of Diamond 2. Optical Quality Diamond Grown by Chemical Vapour Deposition 3. Polishing and Shaping of Mono-Crystalline Diamond 4. Refractive and Diffractive Diamond Optics 5. Nitrogen-Vacancy Colour Centres in Diamond: Properties, Synthesis and Applications 6. n-Type Diamond Growth and Homoepitaxial Diamond Junction Devices 7. Surface Doping of Diamond and Induced Optical Effects 8. Diamond Raman Laser Design and Performance 9. Quantum Optical Diamond Technologies 10.Diamond-based Optical Waveguides, Cavities and Other Microstructures 11.Thermal Management of Lasers and LEDs using Diamond 12.Laser in Synthesis, Micro and Nanoprocessing of Diamond Materials 13. Fluorescent Nanodiamonds and their Prospects in Bioimaging
TL;DR: In this article, the challenges of increasing crystal dimensions both laterally and vertically, decreasing and controlling point and extended defects as well as modulating crystal conductivity by an efficient doping are detailed.
TL;DR: In this article, the influence of minor addition of Zr on the microstructure and thermal conductivity of the composites was analyzed both experimentally and theoretically, and it was demonstrated that moderate interfacial modification due to the Zr added is beneficial to improve the thermal conductivities of the Cu/Dia composites.