Research graph
References from On the formation of hydrogenated diamane-like structures from van der Waals graphene/h-BN heterostructures. Local targets link to admitted publications; unresolved targets remain external evidence.
Electric field effect in atomically thin carbon films
10.1126/science.1102896 · 2004 · External reference
Synthesis, processing, and applications of 2D (nano)materials: a sustainable approach
2023 · External reference
Recent advances in 2D material theory, synthesis, properties, and applications
10.1021/acsnano.2c12759 · 2023 · External reference
Recent advances on graphene: synthesis, properties and applications
10.1016/j.compositesa.2022.107051 · 2022 · External reference
A review of scalable hexagonal boron nitride (h-BN) synthesis for present and future applications
10.1002/adma.202207374 · 2023 · External reference
Recent advances in thermal properties of graphene/hexagonal boron nitride heterostructures and their polymer nanocomposites: a review
10.1016/j.adna.2025.09.001 · 2025 · External reference
Graphene/h-BN heterostructures under pressure: from van der Waals to covalent
10.1016/j.carbon.2019.08.054 · 2019 · External reference
Graphene–hBN non-van der Waals vertical heterostructures for four- electron oxygen reduction reaction
10.1039/c8cp06155f · 2019 · External reference
Advancements in theoretical and experimental investigations on diamane materials
10.1039/d3nr01400b · 2023 · External reference
Diamane: design, synthesis, properties, and challenges
10.1080/26941112.2020.1869475 · 2022 · External reference
Diamond-like C2H nanolayer, diamane: simulation of the structure and properties
10.1134/s0021364009140112 · 2009 · External reference
Raman evidence for the successful synthesis of diamane
10.1016/j.carbon.2020.07.068 · 2020 · External reference
Chemically induced transformation of chemical vapour deposition grown bilayer graphene into fluorinated single-layer diamond
10.1038/s41565-019-0582-z · 2020 · External reference
Synthesis of atomically thin hexagonal diamond with compression
10.1021/acs.nanolett.0c01872 · 2020 · External reference
Structural, mechanical, and optoelectronic properties of siladiamanes – Novel hypothetical silicon analogs of diamanes: a combined DFT and DFTB study
2025 · External reference
Moiré and non-twisted sp3-hybridized structures based on hexagonal boron nitride bilayers: Ab initio insight into infrared and Raman spectra, bands structures and mechanical properties
10.1016/j.apsusc.2022.154909 · 2022 · External reference
Functionalized hexagonal boron nitride bilayers: desirable electro-optical properties for optoelectronic applications
10.1039/d4cp01846j · 2024 · External reference
Moiré M-Nitridanes (M = Al, B, Ga) analogues of carbon diamanes: Ab initio investigation of atomic structures, electronic, and mechanical properties
10.1021/acsaelm.3c01015 · 2023 · External reference
On piezoelectricity in Moiré nitridanes
10.1016/j.commatsci.2024.113589 · 2025 · External reference
Ultrawide-bandgap Moiré diamanes based on bigraphenes with the twist angles Θ∼30°
10.1063/5.0027839 · 2020 · External reference
Moiré diamanes based on the hydrogenated or fluorinated twisted bigraphene: the features of atomic and electronic structures, Raman and infrared spectra
10.1016/j.apsusc.2020.148011 · 2021 · External reference
Diamane quasicrystals
10.1016/j.apsusc.2021.151362 · 2022 · External reference
10.3390/c7010017
10.3390/c7010017 · External reference
Structural, mechanical, and electro-optical properties of hydrogenated graphene/h-BN heterobilayer
10.1140/epjp/s13360-022-03448-2 · 2022 · External reference
Diamane-like films based on twisted G/BN bilayers: DFT modelling of atomic structures and electronic properties
10.3390/nano13050841 · 2023 · External reference
Metal–insulator transition and other electronic properties of AB-stacked bilayer graphene deposited on a ferromagnetic substrate
10.1134/s0021364023603068 · 2023 · External reference
Formation and electronic properties of hydrogenated few layer graphene
10.1088/0957-4484/22/18/185202 · 2011 · External reference
Hydrogen storage by spillover on graphene as a phase nucleation process
10.1103/physrevb.78.041402 · 2008 · External reference
Inhomogeneous electron gas
10.1103/physrev.136.b864 · 1964 · External reference
Self-consistent equations including exchange and correlation effects
10.1103/physrev.140.a1133 · 1965 · External reference
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
10.1016/0927-0256(96)00008-0 · 1996 · External reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · 1996 · External reference
Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium
10.1103/physrevb.49.14251 · 1994 · External reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · 1994 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Special points for Brillouin-zone integrations
10.1103/physrevb.13.5188 · 1976 · External reference
Accurate description of van der Waals complexes by density functional theory including empirical corrections
10.1002/jcc.20078 · 2004 · External reference
First principles phonon calculations in materials science
10.1016/j.scriptamat.2015.07.021 · 2015 · External reference
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
10.1016/j.cpc.2021.108171 · 2022 · External reference
PET-MAD as a lightweight universal interatomic potential for advanced materials modeling
10.1038/s41467-025-65662-7 · 2025 · External reference
Graph atomic cluster expansion for foundational machine learning interatomic potentials
10.1038/s41524-026-01979-1 · 2026 · External reference
Emergence of tertiary dirac points in graphene moiré superlattices
10.1021/acs.nanolett.7b00735 · 2017 · External reference
First principles study of hydrogenated BxNyCz nanolayers
10.1016/j.physb.2023.415078 · 2023 · External reference
Ferromagnetism in semihydrogenated graphene sheet
10.1021/nl9020733 · 2009 · External reference
Calculated properties of fully hydrogenated single layers of BN, BC2N , and graphene: Graphane and its BN-containing analogue
10.1103/physrevb.80.195411 · 2009 · External reference
Tuning electronic and optical properties of graphene/h-BN heterobilayer via surface modification
10.1016/j.apsusc.2022.154591 · 2022 · External reference
Enumeration of Moiré patterns of a hexagonal twisted bilayer: applications to intercalated transition metals
10.1063/5.0160088 · 2023 · External reference
A deterministic method to construct a common supercell between two similar crystalline surfaces
10.1002/smtd.202400579 · 2024 · External reference
Density functional calculations on the intricacies of Moiré patterns on graphite
10.1103/physrevb.75.235449 · 2007 · External reference
First-principles study of highly sensitive graphene/hexagonal boron nitride heterostructures for application in toxic gas-sensing devices
10.1039/d3ra08017j · 2024 · External reference
Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction
10.1103/physrevb.96.085432 · 2017 · External reference
Contrasting properties of hydrogenated and protonated single-layer h-BN from first-principles
10.1088/1361-648x/aaa2d7 · 2018 · External reference
Tuning the magnetic properties of hydrogenated bilayer graphene and graphene/h-BN heterostructures by compressive pressures
10.1016/j.carbon.2018.01.102 · 2018 · External reference
A theoretical study on the formation mechanism and the sum-frequency generation spectra of hydrogenated graphene
10.1039/d5cp00038f · 2025 · External reference
Hydrogen-coverage-dependent stark effect in bilayer graphene and graphene/BN nanofilms
10.1021/jp501904j · 2014 · External reference
Thermochemical electronegativities of the elements
10.1038/s41467-021-22429-0 · 2021 · External reference
Simple electronegativity-based model for predicting formation of stable compounds across the periodic table
10.1038/s41467-025-67658-9 · 2025 · External reference
Universal machine learning interatomic potentials are ready for phonons
10.1038/s41524-025-01650-1 · 2025 · External reference
Band-gap modulation in hydrogenated graphene/boron nitride heterostructures: the role of heterogeneous interface
10.1103/physrevb.86.125437 · 2012 · External reference
10.1002/adfm.202419321
10.1002/adfm.202419321 · External reference
Isolating hydrogen in hexagonal boron nitride bubbles by a plasma treatment
10.1038/s41467-019-10660-9 · 2019 · External reference
2D (< 10 nm) sp3-C-rich carbon materials, possibly hydrogenated: a review
10.1016/j.cartre.2022.100219 · 2022 · External reference
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
10.1063/1.1329672 · 2000 · External reference
Adhesion and electronic structure of graphene on hexagonal boron nitride substrates
10.1103/physrevb.84.195414 · 2011 · External reference
Moiré band model and band gaps of graphene on hexagonal boron nitride
10.1103/physrevb.96.085442 · 2017 · External reference
10.1038/ncomms5461
10.1038/ncomms5461 · External reference
Influence of hexagonal boron nitride on electronic structure of graphene
2022 · External reference
10.1002/adfm.202419321
10.1002/adfm.202419321 · ExternalCitation · doi-reference
A review of scalable hexagonal boron nitride (h-BN) synthesis for present and future applications
10.1002/adma.202207374 · ExternalCitation · doi-reference
Accurate description of van der Waals complexes by density functional theory including empirical corrections
10.1002/jcc.20078 · ExternalCitation · doi-reference
A deterministic method to construct a common supercell between two similar crystalline surfaces
10.1002/smtd.202400579 · ExternalCitation · doi-reference
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
10.1016/0927-0256(96)00008-0 · ExternalCitation · doi-reference
Recent advances in thermal properties of graphene/hexagonal boron nitride heterostructures and their polymer nanocomposites: a review
10.1016/j.adna.2025.09.001 · ExternalCitation · doi-reference
Moiré diamanes based on the hydrogenated or fluorinated twisted bigraphene: the features of atomic and electronic structures, Raman and infrared spectra
10.1016/j.apsusc.2020.148011 · ExternalCitation · doi-reference
Diamane quasicrystals
10.1016/j.apsusc.2021.151362 · ExternalCitation · doi-reference
Tuning electronic and optical properties of graphene/h-BN heterobilayer via surface modification
10.1016/j.apsusc.2022.154591 · ExternalCitation · doi-reference
Moiré and non-twisted sp3-hybridized structures based on hexagonal boron nitride bilayers: Ab initio insight into infrared and Raman spectra, bands structures and mechanical properties
10.1016/j.apsusc.2022.154909 · ExternalCitation · doi-reference
Tuning the magnetic properties of hydrogenated bilayer graphene and graphene/h-BN heterostructures by compressive pressures
10.1016/j.carbon.2018.01.102 · ExternalCitation · doi-reference
Graphene/h-BN heterostructures under pressure: from van der Waals to covalent
10.1016/j.carbon.2019.08.054 · ExternalCitation · doi-reference
Raman evidence for the successful synthesis of diamane
10.1016/j.carbon.2020.07.068 · ExternalCitation · doi-reference
2D (< 10 nm) sp3-C-rich carbon materials, possibly hydrogenated: a review
10.1016/j.cartre.2022.100219 · ExternalCitation · doi-reference
On piezoelectricity in Moiré nitridanes
10.1016/j.commatsci.2024.113589 · ExternalCitation · doi-reference
Recent advances on graphene: synthesis, properties and applications
10.1016/j.compositesa.2022.107051 · ExternalCitation · doi-reference
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
10.1016/j.cpc.2021.108171 · ExternalCitation · doi-reference
First principles study of hydrogenated BxNyCz nanolayers
10.1016/j.physb.2023.415078 · ExternalCitation · doi-reference
First principles phonon calculations in materials science
10.1016/j.scriptamat.2015.07.021 · ExternalCitation · doi-reference
Synthesis of atomically thin hexagonal diamond with compression
10.1021/acs.nanolett.0c01872 · ExternalCitation · doi-reference
Emergence of tertiary dirac points in graphene moiré superlattices
10.1021/acs.nanolett.7b00735 · ExternalCitation · doi-reference
Moiré M-Nitridanes (M = Al, B, Ga) analogues of carbon diamanes: Ab initio investigation of atomic structures, electronic, and mechanical properties
10.1021/acsaelm.3c01015 · ExternalCitation · doi-reference
Recent advances in 2D material theory, synthesis, properties, and applications
10.1021/acsnano.2c12759 · ExternalCitation · doi-reference
Hydrogen-coverage-dependent stark effect in bilayer graphene and graphene/BN nanofilms
10.1021/jp501904j · ExternalCitation · doi-reference
Ferromagnetism in semihydrogenated graphene sheet
10.1021/nl9020733 · ExternalCitation · doi-reference
10.1038/ncomms5461
10.1038/ncomms5461 · ExternalCitation · doi-reference
Isolating hydrogen in hexagonal boron nitride bubbles by a plasma treatment
10.1038/s41467-019-10660-9 · ExternalCitation · doi-reference
Thermochemical electronegativities of the elements
10.1038/s41467-021-22429-0 · ExternalCitation · doi-reference
PET-MAD as a lightweight universal interatomic potential for advanced materials modeling
10.1038/s41467-025-65662-7 · ExternalCitation · doi-reference
Simple electronegativity-based model for predicting formation of stable compounds across the periodic table
10.1038/s41467-025-67658-9 · ExternalCitation · doi-reference
Universal machine learning interatomic potentials are ready for phonons
10.1038/s41524-025-01650-1 · ExternalCitation · doi-reference
Graph atomic cluster expansion for foundational machine learning interatomic potentials
10.1038/s41524-026-01979-1 · ExternalCitation · doi-reference
Chemically induced transformation of chemical vapour deposition grown bilayer graphene into fluorinated single-layer diamond
10.1038/s41565-019-0582-z · ExternalCitation · doi-reference
Graphene–hBN non-van der Waals vertical heterostructures for four- electron oxygen reduction reaction
10.1039/c8cp06155f · ExternalCitation · doi-reference
Advancements in theoretical and experimental investigations on diamane materials
10.1039/d3nr01400b · ExternalCitation · doi-reference
First-principles study of highly sensitive graphene/hexagonal boron nitride heterostructures for application in toxic gas-sensing devices
10.1039/d3ra08017j · ExternalCitation · doi-reference
Functionalized hexagonal boron nitride bilayers: desirable electro-optical properties for optoelectronic applications
10.1039/d4cp01846j · ExternalCitation · doi-reference
A theoretical study on the formation mechanism and the sum-frequency generation spectra of hydrogenated graphene
10.1039/d5cp00038f · ExternalCitation · doi-reference
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
10.1063/1.1329672 · ExternalCitation · doi-reference
Ultrawide-bandgap Moiré diamanes based on bigraphenes with the twist angles Θ∼30°
10.1063/5.0027839 · ExternalCitation · doi-reference
Enumeration of Moiré patterns of a hexagonal twisted bilayer: applications to intercalated transition metals
10.1063/5.0160088 · ExternalCitation · doi-reference
Diamane: design, synthesis, properties, and challenges
10.1080/26941112.2020.1869475 · ExternalCitation · doi-reference
Formation and electronic properties of hydrogenated few layer graphene
10.1088/0957-4484/22/18/185202 · ExternalCitation · doi-reference
Contrasting properties of hydrogenated and protonated single-layer h-BN from first-principles
10.1088/1361-648x/aaa2d7 · ExternalCitation · doi-reference
Inhomogeneous electron gas
10.1103/physrev.136.b864 · ExternalCitation · doi-reference
Self-consistent equations including exchange and correlation effects
10.1103/physrev.140.a1133 · ExternalCitation · doi-reference
Special points for Brillouin-zone integrations
10.1103/physrevb.13.5188 · ExternalCitation · doi-reference
Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium
10.1103/physrevb.49.14251 · ExternalCitation · doi-reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · ExternalCitation · doi-reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · ExternalCitation · doi-reference
Density functional calculations on the intricacies of Moiré patterns on graphite
10.1103/physrevb.75.235449 · ExternalCitation · doi-reference
Hydrogen storage by spillover on graphene as a phase nucleation process
10.1103/physrevb.78.041402 · ExternalCitation · doi-reference
Calculated properties of fully hydrogenated single layers of BN, BC2N , and graphene: Graphane and its BN-containing analogue
10.1103/physrevb.80.195411 · ExternalCitation · doi-reference
Adhesion and electronic structure of graphene on hexagonal boron nitride substrates
10.1103/physrevb.84.195414 · ExternalCitation · doi-reference
Band-gap modulation in hydrogenated graphene/boron nitride heterostructures: the role of heterogeneous interface
10.1103/physrevb.86.125437 · ExternalCitation · doi-reference
Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction
10.1103/physrevb.96.085432 · ExternalCitation · doi-reference
Moiré band model and band gaps of graphene on hexagonal boron nitride
10.1103/physrevb.96.085442 · ExternalCitation · doi-reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · ExternalCitation · doi-reference
Electric field effect in atomically thin carbon films
10.1126/science.1102896 · ExternalCitation · doi-reference
Diamond-like C2H nanolayer, diamane: simulation of the structure and properties
10.1134/s0021364009140112 · ExternalCitation · doi-reference
Metal–insulator transition and other electronic properties of AB-stacked bilayer graphene deposited on a ferromagnetic substrate
10.1134/s0021364023603068 · ExternalCitation · doi-reference
Structural, mechanical, and electro-optical properties of hydrogenated graphene/h-BN heterobilayer
10.1140/epjp/s13360-022-03448-2 · ExternalCitation · doi-reference
10.3390/c7010017
10.3390/c7010017 · ExternalCitation · doi-reference
Diamane-like films based on twisted G/BN bilayers: DFT modelling of atomic structures and electronic properties
10.3390/nano13050841 · ExternalCitation · doi-reference
