PMID-sentid Pub_year Sent_text compound_name comp_offset prot_official_name organism prot_offset 35211267-0 2022 A perfect match between borophene and aluminium in the AlB3 heterostructure with covalent Al-B bonds, multiple Dirac points and a high Fermi velocity. borophene 24-33 albumin Homo sapiens 90-94 34823236-1 2021 The electronic transport anisotropy for different C-doped borophene polymorphs (beta12 and chi3) was investigated theoretically combining density functional theory (DFT) and non-equilibrium Green"s function (NEGF). borophene 58-67 immunoglobulin kappa variable 2D-19 (pseudogene) Homo sapiens 80-86 34823236-1 2021 The electronic transport anisotropy for different C-doped borophene polymorphs (beta12 and chi3) was investigated theoretically combining density functional theory (DFT) and non-equilibrium Green"s function (NEGF). borophene 58-67 chitinase 1 Homo sapiens 91-95 34549941-7 2021 Based on the density functional theory model, the excellent electrochemical performances of the borophene-based Li-S batteries should originate from the enormous enhancement of beta12-borophene sheets for both the surface migration of the Li-ions and the adsorption energy of Li2Sn clusters. borophene 96-105 immunoglobulin kappa variable 2D-19 (pseudogene) Homo sapiens 177-183 34612402-1 2021 Motivated by recent experimental and theoretical research on a monolayer of boron atoms, borophene, the transmission probability and current-voltage characteristics of beta12-borophene nanoribbons (BNRs) with zigzag and armchair edges have been calculated using the five-band tight-binding calculation, the Green"s function approach, and the Landauer-Buttiker formalism. borophene 89-98 immunoglobulin kappa variable 2D-19 (pseudogene) Homo sapiens 168-174 34213879-0 2021 van der Waals Epitaxial Growth of Borophene on a Mica Substrate toward a High-Performance Photodetector. borophene 34-43 MHC class I polypeptide-related sequence A Homo sapiens 49-53 34213879-4 2021 Here, we demonstrate that borophene films can be synthesized onto a mica substrate by van der Waals epitaxy, where hydrogen and NaBH4 are respectively used as the carrier gas and the boron source. borophene 26-35 MHC class I polypeptide-related sequence A Homo sapiens 68-72 34073150-3 2021 We adopt the transfer matrix method to investigate the Klein tunneling of massless fermions across the smooth NP junctions and NPN junctions of 8-Pmmn borophene. borophene 151-160 nephrocan, pseudogene Homo sapiens 127-130 35234763-0 2022 Few-layer Mg-deficient borophene nanosheets: I2 oxidation and ultrasonic delamination from MgB2. borophene 23-32 secretoglobin family 2A member 1 Homo sapiens 91-95 35234763-6 2022 This research solves the problems of low Mg atom deintercalation rate and hexagonal boron structure destruction when using the precursor MgB2 to produce borophene nanosheets, which is of great significance for large-scale novel preparation and application of borophene nanosheets. borophene 153-162 secretoglobin family 2A member 1 Homo sapiens 137-141 35234763-6 2022 This research solves the problems of low Mg atom deintercalation rate and hexagonal boron structure destruction when using the precursor MgB2 to produce borophene nanosheets, which is of great significance for large-scale novel preparation and application of borophene nanosheets. borophene 259-268 secretoglobin family 2A member 1 Homo sapiens 137-141 35211267-1 2022 By performing a swarm-intelligent global structure search combined with first-principles calculations, a stable two-dimensional (2D) AlB3 heterostructure with directed, covalent Al-B bonds forms due to a nearly perfect lattice match between 2D borophene and the Al(111) surface. borophene 244-253 albumin Homo sapiens 178-182 30967559-5 2019 Additionally, we show that CO-functionalized scanning tunneling microscopy is an equivalent and more accessible technique for HH imaging, confirming the v1/5 and v1/6 borophene models as unifying structures for all observed phases. borophene 167-176 immunoglobulin lambda variable 2-18 Homo sapiens 153-166 33565849-6 2021 The CVD-borophene layers display an average thickness of 4.2 A, chi3 crystalline structure, and metallic conductivity. borophene 8-17 chitinase 1 Homo sapiens 64-68 31318221-6 2019 Based on the example of chi3 phase borophene, several ferromagnetic TM embedded borophene nanosheets with high Curie temperature and large perpendicular magnetic anisotropy have been predicted. borophene 35-44 chitinase 1 Homo sapiens 24-28 31318221-6 2019 Based on the example of chi3 phase borophene, several ferromagnetic TM embedded borophene nanosheets with high Curie temperature and large perpendicular magnetic anisotropy have been predicted. borophene 80-89 chitinase 1 Homo sapiens 24-28 33360587-1 2021 In this paper, we present a computational study investigating the electronic properties of DNA nucleobases (Adenine, Guanine, Cytosine and Thymine) on chi3 borophene using a combination of density functional theory (DFT) and non-equilibrium Green"s function (NEGF) formalism.The adsorption energy, equilibrium distance, net charge of transfer, and density of states (DOSs) are obtained at different molecule orientations and selective positions.The most stable geometries of DNA molecules on chi3 borophene are also determined.By using (NEGF) formalism, the electronic transmission and electrical current are calculated separately as a function of applied bias voltage for each nucleobase. borophene 156-165 chitinase 1 Homo sapiens 151-155 33360587-1 2021 In this paper, we present a computational study investigating the electronic properties of DNA nucleobases (Adenine, Guanine, Cytosine and Thymine) on chi3 borophene using a combination of density functional theory (DFT) and non-equilibrium Green"s function (NEGF) formalism.The adsorption energy, equilibrium distance, net charge of transfer, and density of states (DOSs) are obtained at different molecule orientations and selective positions.The most stable geometries of DNA molecules on chi3 borophene are also determined.By using (NEGF) formalism, the electronic transmission and electrical current are calculated separately as a function of applied bias voltage for each nucleobase. borophene 156-165 chitinase 1 Homo sapiens 492-496 33360587-1 2021 In this paper, we present a computational study investigating the electronic properties of DNA nucleobases (Adenine, Guanine, Cytosine and Thymine) on chi3 borophene using a combination of density functional theory (DFT) and non-equilibrium Green"s function (NEGF) formalism.The adsorption energy, equilibrium distance, net charge of transfer, and density of states (DOSs) are obtained at different molecule orientations and selective positions.The most stable geometries of DNA molecules on chi3 borophene are also determined.By using (NEGF) formalism, the electronic transmission and electrical current are calculated separately as a function of applied bias voltage for each nucleobase. borophene 497-506 chitinase 1 Homo sapiens 151-155 31403639-3 2019 The NFE states emerge from a line defect in borophene, manifested as a structural unit of the (2,2) or chi3 sheet, which creates an in-plane potential well that shifts the states toward the Fermi level. borophene 44-53 chitinase 1 Homo sapiens 103-107 25416890-1 2014 The synthesis of quasiplanar boron clusters (B36) with a central hexagonal hole provides the first experimental evidence that a single-atomic-layer borophene with hexagonal vacancies is potentially viable [Z. Piazza, H. Hu, W. Li, Y. Zhao, J. Li, and L. S. Wang, Nat. borophene 148-157 bromodomain containing 2 Homo sapiens 263-266 30221300-3 2018 Here, we have used halogen functionalization in an attempt to boost the sluggish Li-ion diffusion dynamics in the prototype chi3 borophene system. borophene 129-138 chitinase 1 Homo sapiens 124-128 30013053-4 2018 Here we investigate borophene line defects at the atomic scale with ultrahigh vacuum (UHV) scanning tunnelling microscopy/spectroscopy (STM/STS) and density functional theory (DFT). borophene 20-29 sulfotransferase family 1A member 3 Homo sapiens 136-139 30013053-5 2018 Under suitable growth conditions, borophene phases that correspond to the v1/6 and v1/5 models are found to intermix and accommodate line defects in each other with structures that match the constituent units of the other phase. borophene 34-43 immunoglobulin lambda variable 2-18 Homo sapiens 74-87 29171690-1 2018 2D anisotropic Dirac cones are observed in chi3 borophene, a monolayer boron sheet, using high-resolution angle-resolved photoemission spectroscopy. borophene 48-57 chitinase 1 Homo sapiens 43-47 29171690-4 2018 As chi3 borophene has been predicated to be a superconductor, the results may stimulate further research interest in the novel physics of borophene, such as the interplay between Cooper pairs and the massless Dirac fermions. borophene 8-17 chitinase 1 Homo sapiens 3-7 27711458-7 2016 Based on the results of our modelling, borophene films depending on the atomic configurations and the loading direction can yield a remarkable elastic modulus in the range of 163-382 GPa nm and a high ultimate tensile strength from 13.5 GPa nm to around 22.8 GPa nm at the corresponding strain from 0.1 to 0.21. borophene 39-48 glycophorin A (MNS blood group) Homo sapiens 183-186 27711458-7 2016 Based on the results of our modelling, borophene films depending on the atomic configurations and the loading direction can yield a remarkable elastic modulus in the range of 163-382 GPa nm and a high ultimate tensile strength from 13.5 GPa nm to around 22.8 GPa nm at the corresponding strain from 0.1 to 0.21. borophene 39-48 glycophorin A (MNS blood group) Homo sapiens 237-240 27711458-7 2016 Based on the results of our modelling, borophene films depending on the atomic configurations and the loading direction can yield a remarkable elastic modulus in the range of 163-382 GPa nm and a high ultimate tensile strength from 13.5 GPa nm to around 22.8 GPa nm at the corresponding strain from 0.1 to 0.21. borophene 39-48 glycophorin A (MNS blood group) Homo sapiens 237-240 27714039-4 2016 Our results reveal that there exist three energetically favorable borophene structures (beta5, chi1, and chi2) on the Ag(111) surface and their simulated STM images are in good agreement with experimental results, suggesting the coexistence of boron phases during the growth. borophene 66-75 adaptor related protein complex 5 subunit beta 1 Homo sapiens 88-93 27714039-4 2016 Our results reveal that there exist three energetically favorable borophene structures (beta5, chi1, and chi2) on the Ag(111) surface and their simulated STM images are in good agreement with experimental results, suggesting the coexistence of boron phases during the growth. borophene 66-75 sulfotransferase family 1A member 3 Homo sapiens 154-157 28686430-2 2017 Herein we present a combined theoretical and experimental study that leads to the identification of alpha-phase molybdenum diboride (alpha-MoB2) comprising borophene subunits as a noble metal-free, superefficient electrocatalyst for the hydrogen evolution reaction (HER). borophene 156-165 MOB kinase activator 2 Homo sapiens 139-143 28853021-0 2017 First-Principles Study on the Stability and STM Image of Borophene. borophene 57-66 sulfotransferase family 1A member 3 Homo sapiens 44-47 28321445-3 2017 Here, we present a joint photoelectron spectroscopic and first-principles study of B37- and B38-, which are in the transition size range between the 2D borophene-type clusters and the 3D borospherenes. borophene 152-161 atrophin 1 Homo sapiens 83-95 27502997-3 2016 The calculations are performed on two experimentally stable borophene structures, namely beta12 and chi3 structures. borophene 60-69 chitinase 1 Homo sapiens 100-104