1. Yang, G. et al. Chemical Vapor Deposition Growth of Vertical {MoS}2 Nanosheets on p-{GaN} Nanorods for Photodetector Application. ACS Appl. Mater. Interfaces 11, 8453–8460 (2019).
2. Kang, J., Wei, Z. & Li, J. Graphyne and Its Family: Recent Theoretical Advances. ACS Appl. Mater. Interfaces 11, 2692–2706 (2019).
3. Kumawat, R. L., Garg, P., Kumar, S. & Pathak, B. Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA Sequencing. ACS Appl. Mater. Interfaces 11, 219–225 (2019).
4. Zhang, J. & Fahrenthold, E. P. Graphene-Based Sensing of Gas-Phase Explosives. ACS Appl. Nano Mater. 2, 1445–1456 (2019).
5. Zhang, Q. et al. 2D/2D Electrical Contacts in the Monolayer WSe 2 Transistors: A First-Principles Study. ACS Appl. Nano Mater. acsanm.9b00290 (2019). doi:10.1021/acsanm.9b00290
6. Houssa, M. et al. Contact Resistance at MoS 2 -Based 2D Metal/Semiconductor Lateral Heterojunctions . ACS Appl. Nano Mater. 2, 760–766 (2019).
7. Nanshu, L. I. U., Si, Z. & Jijun, Z. Electrical Conductance of Graphene with Point Defects. Acta Phys. -Chim. Sin. 35, 1–8 (2019).
8. Yang, J. et al. Sub 10 nm Bilayer Bi2O2Se Transistors. Adv. Electron. Mater. 5, 1800720 (2019).
9. Wu, X. et al. Thinnest Nonvolatile Memory Based on Monolayer h‐BN. Adv. Mater. 31, 1806790 (2019).
10. Jhon, Y. I., Lee, J., Seo, M., Lee, J. H. & Jhon, Y. M. van der Waals Layered Tin Selenide as Highly Nonlinear Ultrafast Saturable Absorber. Adv. Opt. Mater. 1801745 (2019). doi:10.1002/adom.201801745
11. Yang, Q. et al. Design of Single-Molecule Multiferroics for Efficient Ultrahigh-Density Nonvolatile Memories. Adv. Sci. 6, 1801572 (2019).
12. Narasimman, R., Waldiya, M., Karthik, E., Mukhopadhyay, I. & Ray, A. Transition Metal Dichalcogenide Anchored in 3D Nickel Framework with Graphene Support for Efficient Electrocatalytic Hydrogen Evolution. Adv. Sustain. Syst. 1800168 (2019). doi:10.1002/adsu.201800168
13. Xiao, Z. et al. Design of Atomically Precise Nanoscale Negative Differential Resistance Devices. Adv. Theory Simulations 2, 1800172 (2019).
14. Tang, H. et al. Schottky Contact in Monolayer WS 2 Field-Effect Transistors. Adv. Theory Simulations 1900001 (2019). doi:10.1002/adts.201900001
15. Liu, S. et al. Unusual Fermi-Level Pinning and Ohmic Contact at Monolayer Bi2 O2 Se-Metal Interface. Adv. Theory Simulations 1800178 (2019). doi:10.1002/adts.201800178
16. Tien, N. T., Ut, N. Van, Hoc, B. T., Ngoc Thao, T. T. & Khanh, N. D. Electronic Transport in the V-Shaped Edge Distorted Zigzag Graphene Nanoribbons with Substitutional Doping. Adv. Condens. Matter Phys. 2019, 1–8 (2019).
17. Iwasaki, T., Wang, Z., Muruganathan, M. & Mizuta, H. Formation of quantum dot in graphene single nanoconstriction. Appl. Phys. Express 12, 025004 (2019).
18. Wu, J., Ma, X., Chen, J. & Jiang, X. Defects coupling impacts on mono-layer {WSe}2 tunneling field-effect transistors. Appl. Phys. Express 12, 34001 (2019).
19. Deng, S., Zhang, Y. & Li, L. Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface. Appl. Surf. Sci. 476, 308–316 (2019).
20. Li, H. & Lu, J. Sub-10 nm vertical tunneling transistors based on layered black phosphorene homojunction. Appl. Surf. Sci. 465, 895–901 (2019).
21. Li, K., Xian, X., Wang, J. & Yu, N. First-principle study on honeycomb fluorated-InTe monolayer with large Rashba spin splitting and direct bandgap. Appl. Surf. Sci. 471, 18–22 (2019).
22. Vedaei, S. S. & Nadimi, E. Gas sensing properties of CNT-BNNT-CNT nanostructures: A first principles study. Appl. Surf. Sci. 470, 933–942 (2019).
23. Yoon, S. H. et al. Computational characterization of nitrogen-doped carbon nanotube functionalized by Fe adatom and Fe substituent for oxygen reduction reaction. Appl. Surf. Sci. 485, 342–352 (2019).
24. Pourasl, A. H., Ariffin, S. H. S., Ahmadi, M. T., Ismail, R. & Gharaei, N. A carrier velocity model for electrical detection of gas molecules. Beilstein J. Nanotechnol. 10, 644–653 (2019).
25. Asthana, S. et al. Insulin adsorption onto zinc oxide nanoparticle mediates conformational rearrangement into amyloid-prone structure with enhanced cytotoxic propensity. Biochim. Biophys. Acta - Gen. Subj. 1863, 153–166 (2019).
26. Hu, W. et al. An ab initio study on the transport characteristics of Si2C2 clusters. Can. J. Phys. cjp-2018-0521 (2019). doi:10.1139/cjp-2018-0521
27. Ren, Y. et al. Tunable mechanical, electronic and magnetic properties of monolayer C3N nanoribbons by external fields. Carbon N. Y. 143, 14–20 (2019).
28. Deng, S., Cai, X., Zhang, Y. & Li, L. Enhanced thermoelectric performance of twisted bilayer graphene nanoribbons junction. Carbon N. Y. 145, 622–628 (2019).
29. Rani, S. & Ray, S. J. Detection of gas molecule using C3N island single electron transistor. Carbon N. Y. 144, 235–240 (2019).
30. Xia, C. et al. Rectification effects of C3N nanoribbons-based Schottky junctions. Carbon N. Y. 141, 363–369 (2019).
31. Zhai, B., Yang, L., Zhou, F., Shi, J. & Huang, Y. Strong Photo-Oxidative Capability of {ZnWO}4 Nanoplates with Highly Exposed $\lbrace$0 1 1$\rbrace$ Facets. Catalysts 9, 178 (2019).
32. Xia, Y. et al. Theoretical study of electron transport properties of SimCn /Cn clusters tethered on graphene nanoribbon. Ceram. Int. 45, 530–538 (2019).
33. Dai, X., Zhang, L., Jiang, Y. & Li, H. Electronic transport properties of phosphorene/graphene(silicene/germanene) bilayer heterostructures: A first-principles exploration. Ceram. Int. 45, 11584–11590 (2019).
34. Liu, C. et al. Effective protect of oxygen vacancies in carbon layer coated black TiO2−x/CNNS hetero-junction photocatalyst. Chem. Eng. J. 359, 58–68 (2019).
35. Wang, Y. et al. Ab initio study of ({FeCpVCp}) @{MoS}2 {NT} {\textemdash} A one-dimensional bimetallic sandwich molecular wire ({FeCpVCp}) encapsulated into {MoS}2 nanotube. Chem. Phys. 523, 1–6 (2019).
36. Sun, X.-W. & Zhao, P. Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction. Chem. Phys. Lett. 724, 73–79 (2019).
37. Panahi, S. F. K. S., Namiranian, A. & Jamaati, M. Graphene‐hBN Hybrid Nanogap for Boosting DNA Nucleobases Recognition Sensitivity. ChemNanoMat 5, 488–498 (2019).
38. Bhowmick, R. & Sen, S. Spin-Crossover Assisted Spin-Switching and Rectification Action in Half-Metallic Graphitic Carbon Nitride(g-C4N3). ChemPhysChem 20, 436–442 (2019).
39. Xue, P., Chen, A., Zhang, J. & Shao, Q. Transport properties of doped zigzag graphene nanoribbons. Chinese J. Phys. 57, 47–52 (2019).
40. Lv, Y.-Z. & Zhao, P. Spin Caloritronic Transport of Tree-Saw Graphene Nanoribbons. Chinese Phys. Lett. 36, 017301 (2019).
41. Ye, M., Xia, C.-J., Zhang, B.-Q. & Ma, Y. Negative Differential Resistance and Rectifying Effects of Diblock Co-Oligomer Molecule Devices Sandwiched between C2N-h2D Electrodes. Chinese Phys. Lett. 36, 47101 (2019).
42. Berger, C., Conrad, E. H. & de Heer, W. A. Electronic transport properties of epigraphene. Comput. Theor. Chem. 716–722 (2019). doi:10.1007/978-3-662-53908-8_168
43. He, Y., Cheng, N. & Zhao, J. First-principle study on the conductance of benzene-based molecules with various bonding characteristics. Comput. Theor. Chem. 1154, 1–10 (2019).
44. Aghaei, S. M., Torres, I., Baboukani, A. R., Khakpour, I. & Wang, C. Impact of surface oxidation on the structural, electronic transport, and optical properties of two-dimensional titanium nitride (Ti3N2) {MXene}. Comput. Condens. Matter 20, e00382 (2019).
45. Lanzillo, N. A., Briggs, B. D., Robison, R. R., Standaert, T. & Lavoie, C. Electron Transport Across Cu/Ta(O)/Ru(O)/Cu Interfaces in Advanced Vertical Interconnects. Comput. Mater. Sci. 158, 398–405 (2019).
46. Edin, E., Luo, W., Ahuja, R., Kaplan, B. & Blomqvist, A. First principles study of C diffusion in {WC}/W interfaces observed in {WC}/Co tools after Ti-alloy machining. Comput. Mater. Sci. 161, 236–243 (2019).
47. Zhang, L. et al. Effect of the heteroatom-separation on the electron transport behavior of heteroacene-junctions. Comput. Mater. Sci. 162, 124–132 (2019).
48. Li, L., Bai, H., Li, Y. & Huang, Y. The electronic properties and magnetic states of edge-modified $\upgamma$-graphdiyne nanoribbons. Comput. Mater. Sci. 163, 82–90 (2019).
49. Chen, D. et al. High Selective SO 2 Gas Sensor Based on Monolayer $\beta$ ]]>-AsSb to Detect SF 6 Decompositions. IEEE Sens. J. 19, 1215–1223 (2019).
50. Jaramillo-Botero, A. & Marmolejo-Tejada, J. M. All-Armchair Graphene Nanoribbon Field Effect Uridine Diphosphate Glucose Sensor: First-Principles In-Silico Design and Characterization. IEEE Sens. J. 1 (2019). doi:10.1109/jsen.2019.2896448
51. Banerjee, L., Sengupta, A. & Rahaman, H. Carrier Transport and Thermoelectric Properties of Differently Shaped Germanene (Ge) and Silicene (Si) Nanoribbon Interconnects. IEEE Trans. Electron Devices 66, 664–669 (2019).
52. Chen, D. et al. Using Single-Layer HfS2 as Prospective Sensing Device Toward Typical Partial Discharge Gas in SF6-Based Gas-Insulated Switchgear. IEEE Trans. Electron Devices 66, 689–695 (2019).
53. Jafari, H., Fattahi, R., Ahmadi, A., Faghihnasiri, M. & Rajipour, M. Nonlinear Electronic Transport Behavior of Υ -Graphyne Nanotubes. IEEE Trans. Electron Devices 1–7 (2019). doi:10.1109/ted.2018.2890684
54. Zhang, W., Ragab, T. & Basaran, C. Electrostatic Doping-Based All {GNR} Tunnel {FET}: An Energy-Efficient Design for Power Electronics. IEEE Trans. Electron Devices 66, 1971–1978 (2019).
55. Deng, S. et al. Optical and Piezoelectric Properties of Strained Orthorhombic {PdS}2. IEEE Trans. Nanotechnol. 18, 358–364 (2019).
56. Dey, D., Roy, P. & De, D. First principle study of the self-switching characteristics of the guanine based single optical molecular switch using carbon nanotube electrodes. IET Nanobiotechnology 13, 237–241 (2019).
57. Sasaoka, K., Awano, Y., Yabusaki, K., Takashima, K. & Noda, K. Effects of an edge vacancy on electron transport in zigzag-graphene nanoribbons with oxygen terminations. Jpn. J. Appl. Phys. 58, 025002 (2019).
58. Musle, V., Kumar, A. & Choudhary, S. Temperature dependent spin transport investigations in single layer VTe2. J. Alloys Compd. 770, 345–349 (2019).
59. Maier, F. C., Hocker, S., Schmauder, S. & Fyta, M. Interplay of structural, electronic, and transport features in copper alloys. J. Alloys Compd. 619–626 (2019). doi:10.1016/j.jallcom.2018.10.340
60. Boykin, T. B., Sarangapani, P. & Klimeck, G. Non-orthogonal tight-binding models: Problems and possible remedies for realistic nano-scale devices. J. Appl. Phys. 125, 144302 (2019).
61. Wang, L., Ding, B. & Guo, Y. Spin-Polarized Transport Behavior Induced by Asymmetric Edge Hydrogenation in Hybridized Zigzag Boron Nitride and Graphene Nanoribbons. J. Electron. Mater. 48, 321–328 (2019).
62. Akbar, N. et al. Investigation of Effects of Diameter, Doping and Vacancy Defects on the Band Structure and Transport Properties of Silicon Nanowires for Potential Applications in Field-Effect Transistors. J. Electron. Mater. (2019). doi:10.1007/s11664-019-06933-0
63. Li, Q., Ye, X.-M., Ren, D.-H. & Tan, X.-Y. Thermal Spin Transport Properties of F/Cl Edge-Modified Zigzag Graphene Nanoribbons. J. Electron. Mater. (2019). doi:10.1007/s11664-019-07158-x
64. Hu, G.-C. et al. Enhancement of magnetoresistance and current spin polarization in single-molecule junctions by manipulating the hybrid interface states via anchoring groups. J. Magn. Magn. Mater. (2019). doi:10.1016/j.jmmm.2019.02.011
65. Cao, L. et al. Perfect negative differential resistance, spin-filter and spin-rectification transport behaviors in zigzag-edged $\updelta$-graphyne nanoribbon-based magnetic devices. J. Magn. Magn. Mater. (2019). doi:10.1016/j.jmmm.2019.04.062
66. Li, J., Yang, Z., Xu, L. C., Yang, Y. & Liu, X. Robust negative differential resistance and abnormal magnetoresistance effects in heteroatom-substituted zigzag γ-graphyne nanoribbon homojunctions. J. Mater. Chem. C 7, 1359–1369 (2019).
67. Quhe, R., Chen, J. & Lu, J. A sub-10 nm monolayer ReS 2 transistor for low-power applications. J. Mater. Chem. C 7, 1604–1611 (2019).
68. He, G. et al. Multistate magnetoresistance in zigzag-edge trigonal graphene magnetic junctions. J. Mater. Sci. 54, 5551–5560 (2019).
69. Wei, M. Z. et al. Controlling Rectification Performance by Tuning Molecule-Electrode Coupling Strength in Ferrocenyl-Undecanethiolate Molecular Diodes. J. Phys. Chem. C 123, 1559–1565 (2019).
70. Yang, Z. et al. Crystallized phosphorus/carbon composites with tunable P C bonds by high pressure and high temperature. J. Phys. Chem. Solids 130, 250–255 (2019).
71. An, Y. et al. Negative differential conductance effect and electrical anisotropy of 2D ZrB2 monolayers. J. Phys. Condens. Matter 31, 065301 (2019).
72. Zeng, J. & Chen, K.-Q. Quantum transport properties of hybrid zigzag C3N and C3B nanoribbons. J. Phys. D. Appl. Phys. 52, 185301 (2019).
73. Kuang, W., Hu, R., Fan, Z. & Zhang, Z. Strain-induced rich magnetic phase transitions and enhancement of magnetic stability for O-terminated h-BN nanoribbons. J. Phys. Condens. Matter (2019). doi:10.1088/1361-648x/aafec5
74. Xu, Y. et al. Lateral scaling and positioning effects of top-gate electrodes on single-molecule field-effect transistors. J. Phys. Condens. Matter 31, 285302 (2019).
75. jiangchao, H., Wu, X., Feng, Y. & Gao, G. Y. Half-metallic fully compensated ferrimagnetism and multifunctional spin transport properties of Mn3Al. J. Phys. Condens. Matter (2019). doi:10.1088/1361-648x/ab1732
76. Bueno, P. R. Nanoscale origins of super-capacitance phenomena. J. Power Sources 414, 420–434 (2019).
77. Zakerian, F., Fathipour, M., Faez, R. & Darvish, G. The effect of structural defects on the electron transport of MoS2 nanoribbons based on density functional theory. J. Theor. Appl. Phys. 13, 55–62 (2019).
78. Sikdar, K., Mahata, A., Roy, B. & Roy, D. Hybrid thermal stabilization of Zr doped nanocrystalline Cu. Mater. Des. 164, (2019).
79. Alegaonkar, A. P., Kibey, A. S., Alegaonkar, P. S., Kshirsagar, A. & Pardeshi, S. K. Experimental and theoretical study of Tetrakis(dimethylamino)ethylene induced magnetism in otherwise nonmagnetic graphene derivatives. Mater. Chem. Phys. 222, 132–138 (2019).
80. Divya, S., Kumari, A. & Begam Elavarasi, S. A DFT investigation of the dependence of C13 and F19 CSA parameters on diameter and surface decorated functional groups in F-SWCNTs. Mater. Chem. Phys. 223, 715–722 (2019).
81. Calogero, G. et al. Electron Transport in Nanoporous Graphene: Probing the Talbot Effect. Nano Lett. 19, 576–581 (2019).
82. Zhai, B., Yang, L. & Huang, Y. Intrinsic Defect Engineering in Eu3+ Doped ZnWO4 for Annealing Temperature Tunable Photoluminescence. Nanomaterials 9, 99 (2019).
83. Zhai, B., Yang, L. & Huang, Y. Intrinsic Defect Engineering in Eu3$\mathplus$ Doped {ZnWO}4 for Annealing Temperature Tunable Photoluminescence. Nanomaterials 9, 99 (2019).
84. Milowska, K. Z., Burda, M., Wolanicka, L., Bristowe, P. D. & Koziol, K. K. K. Carbon nanotube functionalization as a route to enhancing the electrical and mechanical properties of Cu-CNT composites. Nanoscale 11, 145–157 (2019).
85. Lai, Y. et al. Two-dimensional ferromagnetism and driven ferroelectricity in van der Waals {CuCrP}2S6. Nanoscale 11, 5163–5170 (2019).
86. Taninaka, A., Yoshida, S., Sugita, Y., Takeuchi, O. & Shigekawa, H. Evolution of local conductance pathways in a single-molecule junction studied using the three-dimensional dynamic probe method. Nanoscale 11, 5951–5959 (2019).
87. Nayak, P. K. Pulsed-grown graphene for flexible transparent conductors. Nanoscale Adv. 1, 1215–1223 (2019).
88. Mahata, A., Jiang, J.-W., Mahapatra, D. R. & Rabczuk, T. Effect of intrinsic structural defects on mechanical properties of single layer {MoS}2. Nano-Structures & Nano-Objects 18, 100247 (2019).
89. Wang, T., Zhang, J. & Shao, Q. Tiny nano-scale junction built on B/N doped single carbon nanotube. Nanotechnology 30, 075203 (2019).
90. Wang, Y. et al. Transport properties and photoresponse of a series of 2D transition metal dichalcogenide intercalation compounds. New J. Chem. 43, 6523–6534 (2019).
91. He, J. et al. Orbitally driven giant thermal conductance associated with abnormal strain dependence in hydrogenated graphene-like borophene. npj Comput. Mater. 5, (2019).
92. Zou, D., Zhao, W. & Yang, C. Magnetic field-driven spintronic logic gates in one-dimensional manganese phthalocyanine nanoribbons based molecular spintronic devices. Org. Electron. 69, 120–127 (2019).
93. Matsuura, Y. & Taniguchi, I. Single-molecule tunnel magnetoresistance of p-type doped polypyrrole. Org. Electron. 69, 114–119 (2019).
94. Chen, T. et al. Characteristics of electronic and spin-independent linear conductance in conjugated aromatic polymer based molecular device. Org. Electron. physics, Mater. Appl. 65, 49–55 (2019).
95. Wang, Z. Q. et al. Controlling the conductance of single-molecule junctions with high spin filtering efficiency by intramolecular proton transfer. Org. Electron. physics, Mater. Appl. 64, 7–14 (2019).
96. Gao, R. Bin, Peng, X. F., Jiang, X. T., Tan, S. H. & Long, M. Q. Electrical-thermal transport properties and their applications in graphene nanoribbon with DNA bases. Org. Electron. physics, Mater. Appl. 67, 57–63 (2019).
97. Garc\’\ia-Merino, J. A. et al. Quantum and bistable magneto-conductive signatures in multiwall carbon nanotubes decorated with bimetallic Ni and Pt nanoparticles driven by phonons. OSA Contin. 2, 1285 (2019).
98. Liu, W., Meng, F. H., Zhao, J. H. & Jiang, X. H. Electronic transport through hybrid armchair graphane/graphene nanoribbons. Phys. B Condens. Matter 554, 144–147 (2019).
99. All Abbas, J. M., Narin, P., Kutlu, E., Lisesivdin, S. B. & Ozbay, E. Electronic properties of zigzag ZnO nanoribbons with hydrogen and magnesium passivations. Phys. B Condens. Matter 556, 12–16 (2019).
100. Ansarino, M., Moghaddam, H. M. & Bahari, A. The dependence of TMR on the barrier thickness, bias voltage and asymmetry in Fe/ZnO/Fe MTJs: A DFT study. Phys. E Low-Dimensional Syst. Nanostructures 107, 80–90 (2019).
101. Khalatbari, H., Vishkayi, S. I. & Soleimani, H. R. Effect of dopant nitrogen on the thermoelectric properties of C20 and C60 fullerene in graphene nanoribbon junction. Phys. E Low-Dimensional Syst. Nanostructures 108, 372–381 (2019).
102. Fuchs, F., Gemming, S. & Schuster, J. Radially resolved electronic structure and charge carrier transport in silicon nanowires. Phys. E Low-Dimensional Syst. Nanostructures 108, 181–186 (2019).
103. Shi, Y., Wang, C., Wang, T. & Wang, M. The electronic and transport properties of zigzag β-antimonene nanoribbons. Phys. E Low-Dimensional Syst. Nanostructures 105, 41–46 (2019).
104. Matsuura, Y. Single-molecule tunnel magnetoresistance of azulene. Phys. E Low-Dimensional Syst. Nanostructures 105, 219–223 (2019).
105. Caliskan, S. Spin resolved electronic structure and transport properties of zinc oxide nanoribbon based devices. Phys. E Low-Dimensional Syst. Nanostructures 107, 67–72 (2019).
106. Li, Z. L. et al. Doping-induced negative differential conductance enhancement in single-molecule junction. Phys. E Low-Dimensional Syst. Nanostructures 106, 270–276 (2019).
107. Hu, X. & Cheng, F. The effect of negative differential resistance in black phosphorene nanoribbons with different passivated atoms. Phys. E Low-dimensional Syst. Nanostructures 110, 20–23 (2019).
108. Li, R. X., Li, H. D., Tian, J. W., Ni, Y. & Tian, X. L. Large rectifying ratio and prefect spin-filtering effect in a zigzag SiC nanoribbon heterojuction with boron and nitrogen impurities. Phys. E Low-Dimensional Syst. Nanostructures 107, 177–181 (2019).
109. Zhang, Z., Sun, J. & Leng, J. The electronic and transport properties of edge contact borophane-MoSe2 heterojunction: A first principles study. Phys. E Low-Dimensional Syst. Nanostructures 106, 5–9 (2019).
110. Caliskan, S. A first principles study on spin resolved electronic properties of X@C70 (X = N, B) endohedral fullerene based molecular devices. Phys. E Low-Dimensional Syst. Nanostructures 108, 83–89 (2019).
111. Wei, S. et al. Modulating electronic and magnetic properties of zigzag {MoSe}2 nanoribbons with different edge structures. Phys. E Low-dimensional Syst. Nanostructures 109, 93–100 (2019).
112. Han, J. N., He, X., Fan, Z. Q. & Zhang, Z. H. Metal doped armchair graphene nanoribbons: Electronic structure, carrier mobility and device properties. Phys. Chem. Chem. Phys. 21, 1830–1840 (2019).
113. Li, J. et al. Spin-filtering and tunneling magnetoresistance effects in 6,6,12-graphyne-based molecular magnetic tunnel junctions. Phys. Chem. Chem. Phys. 21, 2734–2742 (2019).
114. Montes, E., Foti, G. & Vázquez, H. Crossover in the inelastic electron tunneling spectra of conjugated molecules with direct Au-C links. Phys. Chem. Chem. Phys. 21, 1564–1571 (2019).
115. Chaudhury, A., Majumder, S. & Ray, S. J. Proximity-Induced Colossal Conductivity Modulation in Phosphorene. Phys. Rev. Appl. 11, 024056 (2019).
116. Rumetshofer, M., Bauernfeind, D., Arrigoni, E. & Von Der Linden, W. First-principles quantum transport simulation of CuPc on Au(111) and Ag(111). Phys. Rev. B 99, 045148 (2019).
117. Maji, T. K. et al. Intricate modulation of interlayer coupling at the graphene oxide/ MoS e 2 interface: Application in time-dependent optics and device transport . Phys. Rev. B 99, (2019).
118. Zhao, X. & Stadler, R. DFT-based study of electron transport through ferrocene compounds with different anchor groups in different adsorption configurations of an STM setup. Phys. Rev. B 99, 045431 (2019).
119. Ju, S., Dieb, T. M., Tsuda, K. & Shiomi, J. Designing Nanostructures for Heat Transport Via Materials Informatics. Phys. Rev. X 021024, 7323–7330 (2019).
120. Ni, Y. et al. A metal-semiconductor transition triggered by atomically flat zigzag edge in monolayer transition-metal dichalcogenides. Phys. Lett. A 383, 1636–1641 (2019).
121. Zhang, Y. et al. Spin-resolved transport properties of {DNA} base multi-functional electronic devices. Phys. Lett. A (2019). doi:10.1016/j.physleta.2019.03.034
122. Li, D. et al. Spin-dependent transport properties of debrominated tetrabromopolyaromatic with Cu or Co doping embedded between zigzag graphene nanoribbon electrodes. Phys. Lett. A (2019). doi:10.1016/j.physleta.2019.04.017
123. Wang, M. et al. Spin transport properties in Fe-doped graphene/hexagonal boron-nitride nanoribbons heterostructures. Phys. Lett. A (2019). doi:10.1016/j.physleta.2019.04.022
124. Shah, K. A., Shunaid Parvaiz, M. & Dar, G. N. Photocurrent in single walled carbon nanotubes. Phys. Lett. A (2019). doi:10.1016/j.physleta.2019.04.024
125. Deng, X. Q. & Sheng, R. Q. Spin transport investigation of two type silicene nanoribbons heterostructure. Phys. Lett. Sect. A Gen. At. Solid State Phys. 383, 47–53 (2019).
126. Liu, Y., Guo, S., Yu, J. & Zhong, H. Large magnetoresistance and perfect spin filter effect in Fe doped SnS2 half-metallic monolayers: A first principles study. Phys. Lett. Sect. A Gen. At. Solid State Phys. 383, 674–679 (2019).
127. Yogi, R. & Jaiswal, N. K. Adsorption of CO gas molecules on zigzag BN/AlN nanoribbons for nano sensor applications. Phys. Lett. Sect. A Gen. At. Solid State Phys. 383, 532–538 (2019).
128. Zuo, X. et al. Engineering of carbon-based superlight spin filter with negative differential resistance. Phys. Lett. Sect. A Gen. At. Solid State Phys. 383, 640–645 (2019).
129. Xiao, W. H. et al. Large negative differential resistance behavior in arsenene nanoribbons induced by vacant defects. Phys. Lett. Sect. A Gen. At. Solid State Phys. (2019). doi:10.1016/j.physleta.2019.02.022
130. Kayang, K. W. et al. A comparative study of the interaction of nickel, titanium, palladium, and gold metals with single-walled carbon nanotubes: A {DFT} approach. Results Phys. 12, 2100–2106 (2019).
131. Han, J., Shen, J. & Gao, G. CrO2-based heterostructure and magnetic tunnel junction: perfect spin filtering effect, spin diode effect and high tunnel magnetoresistance. RSC Adv. 9, 3550–3557 (2019).
132. He, Y., Cheng, N., Chen, C., Xiong, S. & Zhao, J. Tuning the electronic transport anisotropy in borophene via oxidation strategy. Sci. China Technol. Sci. (2019). doi:10.1007/s11431-018-9385-x
133. Tachikawa, H., Iura, R. & Kawabata, H. Water-accelerated π-Stacking Reaction in Benzene Cluster Cation. Sci. Rep. 9, 2377 (2019).
134. Giangrisostomi, E. et al. Directional sub-femtosecond charge transfer dynamics and the dimensionality of 1T-TaS2. Sci. Rep. 9, (2019).
135. Léonard, F., Foster, M. E. & Spataru, C. D. Prospects for Bioinspired Single-Photon Detection Using Nanotube-Chromophore Hybrids. Sci. Rep. 9, 3268 (2019).
136. Seo, D. & Chang, J. Doping-Free Arsenene Heterostructure Metal-Oxide-Semiconductor Field Effect Transistors Enabled by Thickness Modulated Semiconductor to Metal Transition in Arsenene. Sci. Rep. 9, (2019).
137. Narin, P. et al. Ab initio study of electronic properties of armchair graphene nanoribbons passivated with heavy metal elements. Solid State Commun. 296, 8–11 (2019).
138. Mishra, V. & Gopakumar, T. G. Comparing interactions in three-fold symmetric molecules at solid–air interface. Surf. Sci. 680, 11–17 (2019).
139. Bian, B., Yang, J., Han, X. & Wei, J. Electronic transport induced by asymmetric adsorption site of sulfur in molecular device. Surf. Sci. 684, 52–57 (2019).
140. Han, X., Yang, J., Yuan, P. & Bian, B. Spin-dependent transport in all-carbon multifunctional spintronic device. Eur. Phys. J. B 92, 32 (2019).
141. Wu, X., Xiong, L., Feng, Y., Wang, C. & Gao, G. The half-metallicity and the spin filtering, NDR and spin Seebeck effects in 2D Ag-doped SnSe 2 monolayer. J. Chem. Phys. 150, 064701 (2019).
142. Moran, I. W. & Carter, K. R. Gate Modulated Conductance of Extended Conjugation in Atomically Arrayed Molecular Assemblies. J. Phys. Chem. C acs.jpcc.8b12343 (2019). doi:10.1021/acs.jpcc.8b12343
143. Fang, C. et al. Rational Design of Reversible Molecular Photoswitches Based on Diarylethene Molecules. J. Phys. Chem. C 123, 2736–2745 (2019).
144. Li, H. et al. Effects of Molecular Combination and Side Groups for Thiophene-Benzene-Based Nanodevices. J. Phys. Chem. C 123, 2766–2774 (2019).
145. Kachmar, A., Berdiyorov, G. & Madjet, M. E.-A. Effect of Water on the Structural, Optical, and Hot-Carrier Cooling Properties of the Perovskite Material {MASnI}3. J. Phys. Chem. C 123, 4056–4063 (2019).
146. Koley, S., Sen, S. & Chakrabarti, S. Thermoelectric Switching of Single-Walled Carbon Nanotubes due to Encapsulation of Iodine Atomic Chain. J. Phys. Chem. C 123, 3996–4001 (2019).
147. Zeng, J. & Chen, K.-Q. Charge Transport in Borophene: Role of Intrinsic Line Defects. J. Phys. Chem. C 123, 6270–6275 (2019).
148. Mohamed, N. A. et al. Efficient Photoelectrochemical Performance of $\upgamma$ Irradiated g-C3N4 and Its g-C3N4@{BiVO}4 Heterojunction for Solar Water Splitting. J. Phys. Chem. C 123, 9013–9026 (2019).
149. Sun, R. et al. Theoretical Study on the Interfacial Properties of Monolayer {TiS}3{\textendash}Metal Contacts for Electronic Device Applications. J. Phys. Chem. C 123, 7390–7396 (2019).
150. Xu, L. et al. Pervasive Ohmic Contacts in Bilayer Bi2O2Se{\textendash}Metal Interfaces. J. Phys. Chem. C 123, 8923–8931 (2019).
151. Singha, R. K., Tsuji, Y., Mahyuddin, M. H. & Yoshizawa, K. Methane Activation at the Metal{\textendash}Support Interface of Ni4{\textendash}{CeO}2(111) Catalyst: A Theoretical Study. J. Phys. Chem. C 123, 9788–9798 (2019).
152. Ramasubramanian, A. et al. Lithium Diffusion Mechanism through Solid{\textendash}Electrolyte Interphase in Rechargeable Lithium Batteries. J. Phys. Chem. C 123, 10237–10245 (2019).
153. Zhou, Y., Zheng, X., Cheng, Z.-Q. & Chen, K.-Q. Current Superposition Law Realized in Molecular Devices Connected in Parallel. J. Phys. Chem. C 123, 10462–10468 (2019).