Jain, Sumit Kumar, Anurag Srivastava, and O. P. Sinha. “Bandgap Tuning of SWCNT (5, 5) Through Boron Doping: Ab-Initio Analysis.” Quantum Matter 5.3 (2016): 406-410.

Randhawa, Gagandeep Singh, and Sukhdeep Kaur Gurbani. “Investigation of the Thermal Transport in Hybrid Silicene-Germanene Nanoribbon to Enhance its Thermoelectric Performance.” International Journal of Engineering Science 8078 (2016).

Gupta, Priya, et al. “Ab-Initio Analysis of Electronic Properties of CdO Nanotubes.” Quantum Matter 5.3 (2016): 372-374.

Sharma, Varshali. “Analysis of electronic properties of different configurations of CNTS with undoped and doped atom.” 2ND INTERNATIONAL CONFERENCE ON EMERGING TECHNOLOGIES: MICRO TO NANO 2015 (ETMN-2015): Contributory papers presented in 2nd International Conference on Emerging Technologies: Micro to Nano 2015. Vol. 1724. No. 1. AIP Publishing, 2016.

Sharma, Varshali. “Analysis of electronic properties of different configurations of CNTS with undoped and doped atom.” 2ND INTERNATIONAL CONFERENCE ON EMERGING TECHNOLOGIES: MICRO TO NANO 2015 (ETMN-2015): Contributory papers presented in 2nd International Conference on Emerging Technologies: Micro to Nano 2015. Vol. 1724. No. 1. AIP Publishing, 2016.

Guo, Caixia, et al. “Tuning anisotropic electronic transport properties of phosphorene via substitutional doping.” Physical Chemistry Chemical Physics (2016).

Taluja, Yogita, et al. “Defect and functionalized graphene for supercapacitor electrodes.” Superlattices and Microstructures 98 (2016): 306-315.

SanthiBhushan, Boddepalli, et al. “First Principle Analysis of (10-Boranylanthracene-9-yl) borane-Based Molecular Single-Electron Transistor for High-Speed Low-Power Electronics.” IEEE Transactions on Electron Devices 63.3 (2016): 1232-1238.

Sinha, Swati, Jaya Bandyopadhyay, and Debashis De. “DNA Computing Using Carbon Nanotube-DNA Hybrid Nanostructure.” Handbook of Research on Natural Computing for Optimization Problems. IGI Global, 2016. 744-774. 书

Srivastava, Pankaj, Avaneesh Kumar, and Neeraj K. Jaiswal. “Structural, electronic, and magnetic properties of Mn-Doped InP nanowire.” Superlattices and Microstructures 92 (2016): 134-142.

Yu, Sheng, et al. “Strain-engineering the anisotropic electrical conductance in ReS2 monolayer.” Applied Physics Letters 108.19 (2016): 191901.

Refaat, Marjan, and Mohammad Reza Moslemi. “A simulation study of silver nanowire for water and ethane vapor sensing.” Microelectronics International 33.2 (2016).

Kausar, Sana, and Shirish Joshi. “Effect of Al Doping on Electrical Properties of Si Nanochain.” Quantum Matter 5.3 (2016): 330-334.

Srivastava, Pankaj, et al. “First‐principles study of electronic properties of GaN nanowires: Effect of surface orientation, passivation, and Mn doping.” physica status solidi (b) (2016).

Deng, X. Q., et al. “The design of bipolar spin filtering junction in zigzag silicene nanoribbons.” Organic Electronics 37 (2016): 245-251.

Zhao, Peng, De-Sheng Liu, and Gang Chen. “Spin-polarized transport properties of Fe-oligoporphyrin dimer-based molecular device.” Organic Electronics 36 (2016): 160-165.

Zhai, Bao-gai, Chen Tang, and Yuan Ming Huang. “First-principles density functional calculations of the band structures of SrAl2O4.” Optoelectron. Mater. 1 (2016) 18–21

Zhu, Z., et al. “Magnetic structures and magnetic device properties of edge-modified armchair-edged graphene nanoribbons.” Carbon 106 (2016): 252-259.

Srivastava, Anurag, et al. “Influence of Boron Substitution on Conductance of Pyridine-and Pentane-Based Molecular Single Electron Transistors: First-Principles Analysis.” Journal of Electronic Materials 45.4 (2016): 2233-2241.

Shah, Khurshed A., and M. Shunaid Parvaiz. “Computational comparative study of substitutional, endo and exo BN Co-Doped single walled carbon nanotube system.” Superlattices and Microstructures 93 (2016): 234-241.

Shen, Ji-Mei, et al. “Some methods to regulate low-bias negative differential resistance in σ barrier separating nanoscale molecular transport systems.” International Journal of Modern Physics B 30.2 (2016): 1550256.

An, Yipeng, et al. “Rectifications in organic single-molecule diodes alkanethiolate-terminated heterocyclics.” Physics Letters A 380.7 (2016): 923-926.

Shen, Ji-Mei, et al. “Study on nitrogen doped carbon atom chains with negative differential resistance effect.” Physics Letters A 380.22 (2016): 1981-1984.

Min, Y., et al. “Strong n-type molecule as low bias negative differential resistance device predicted by first-principles study.” Physica E: Low-dimensional Systems and Nanostructures (2016).

Min, Y., et al. “A new method to induce molecular low bias negative differential resistance with multi-peaks.” The Journal of chemical physics 144.6 (2016): 064308.

Zhu, Jingyi, et al. “Defect‐Engineered Graphene for High‐Energy‐and High‐Power‐Density Supercapacitor Devices.” Advanced Materials 28.33 (2016): 7185-7192.

Fang, Y., L. Y. Zhang, and H. L. Zhang. “Predicting the interface structure of Nb thin film grown on MgO (110) substrate.” Materials Letters 183 (2016): 338-340.

Paudel, Samir, et al. “Magnetism in zigzag and armchair CuO nanotubes: Ab-initio study.” Journal of Magnetism and Magnetic Materials 406 (2016): 8-14.

Kutlu, E., et al. “Effect of substitutional As impurity on electrical and optical properties of β-Si 3 N 4 structure.” Materials Research Bulletin (2016).

Xia, Cai-Juan, et al. “Electronic transport properties of a single chiroptical molecular switch with graphene nanoribbons electrodes.” Optik-International Journal for Light and Electron Optics 127.11 (2016): 4774-4777.

Yuan, Peipei, et al. “Reverse rectification and negative differential resistance effects in doped armchair graphene ribbons device.” Applied Physics A 122.9 (2016): 863.

An, Yipeng, et al. “Electronic transport properties of the first all-boron fullerene B 40 and its metallofullerene Sr@ B 40.” Physical Chemistry Chemical Physics 18.17 (2016): 12024-12028.

Zheng, Ya-Peng, Bao-An Bian, and Pei-Pei Yuan. “Electronic transport properties of a quinone-based molecular switch.” The European Physical Journal B 89.9 (2016): 191.

Xia, Cai-Juan, et al. “Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch” Chinese Physics Letters 33.4 (2016): 047101.

Berdiyorov, Golibjon R., Mohamed E. Madjet, and Khaled A. Mahmoud. “Ionic sieving through Ti3C2 (OH) 2 MXene: First-principles calculations.” Applied Physics Letters 108.11 (2016): 113110.

Chakraverty, Mayank, et al. “Simulation of Electrical Characteristics of Silicon and Germanium Nanowires Progressively Doped to Zener Diode Configuration Using First Principle Calculations.” Microelectronics, Electromagnetics and Telecommunications. Springer India, 2016. 421-428.

Aghaei, Sadegh Mehdi, and Irene Calizo. “Density Functional Theory Study on Energy Band Gap of Armchair Silicene Nanoribbons with Periodic Nanoholes.” MRS Advances: 1-6.

He, Jing-Jing, et al. “The electron transport properties of zigzag graphene nanoribbons with upright standing linear carbon chains.” Solid State Communications 227 (2016): 28-32.

Berdiyorov, Golibjon R., and Mohamed El-Amine Madjet. “First-principles study of electronic transport and optical properties of penta-graphene, penta-SiC 2 and penta-CN 2.” RSC Advances 6.56 (2016): 50867-50873.

Khan, Md Shahzad, Anurag Srivastava, and Ravindra Pandey. “Electronic properties of a pristine and NH 3/NO 2 adsorbed buckled arsenene monolayer.” RSC Advances 6.76 (2016): 72634-72642.

Choudhary, Sudhanshu, and Divya Kaushik. “Understanding the effect of vacancy defects on spin transport in CrO2–graphene–CrO2 magnetic tunnel junction.” Modern Physics Letters B 30.09 (2016): 1650102.

Zhang, Leining, et al. “Electronic transport properties of ultra-thin Ni and Ni–C nanowires.” Physical Chemistry Chemical Physics 18.7 (2016): 5336-5343.

Wang, Wei, Yan-Dong Guo, and Xiao-Hong Yan. “The spin-dependent transport of transition metal encapsulated B 40 fullerene.” RSC Advances 6.46 (2016): 40155-40161.

Zhu, Sicong, et al. “The electronic transport and Spin Seebeck Effect of MnAs (001)/InP (001) heterogeneous junctions.” Journal of Alloys and Compounds 655 (2016): 32-37.

Berdiyorov, Golibjon R., et al. “Role of Cations on the Electronic Transport and Optical Properties of the Lead-Iodide Perovskite.” The Journal of Physical Chemist

Width and defect effects on the electronic transport of zigzag MoS2 nanoribbonsry C (2016).

An, Yipeng, et al. “Width and defect effects on the electronic transport of zigzag MoS2 nanoribbons.” Journal of Physics D: Applied Physics 49.24 (2016): 245304.

Wang, Lihua, et al. “The Effects of Negative Differential Resistance, Bipolar Spin-Filtering, and Spin-Rectifying on Step-Like Zigzag Graphene Nanoribbons Heterojunctions with Single or Double Edge-Saturated Hydrogen.” Journal of Electronic Materials (2016): 1-9.

Choudhary, Sudhanshu, Pradeep Mishra, and Rohit Goyal. “First-principles study of spin transport in BN doped CrO 2–graphene–CrO 2 magnetic tunnel junction.” Physics Letters A 380.9 (2016): 1098-1101.

Wu, QiuHua, Peng Zhao, and DeSheng Liu. “Spin-dependent transport properties in a pyrene–graphene nanoribbon device.” RSC Advances 6.20 (2016): 16634-16639.

Zeng, Jing, and Ke-Qiu Chen. “Interesting odd-even rules of spin-filtering and magnetoresistance effects in a single-molecule spintronic device.” Carbon 104 (2016): 20-26.

Yuan, Weiqing, et al. “Energy gap of novel edge-defected graphene nanoribbons.” Japanese Journal of Applied Physics 55.8 (2016): 085101.

Yan, Qiang, et al. “High spin-filter efficiency and Seebeck effect through spin-crossover iron–benzene complex.” The Journal of Chemical Physics 144.15 (2016): 154304.

Xie, Fang, et al. “Tunable negative differential resistance in a single cruciform diamine molecule with zigzag graphene nanoribbon electrodes.” RSC Advances 6.88 (2016): 84978-84984.

Cheng, Xue-Mei, et al. “Hydroxyl induced edge magnetism and metallicity in armchair MoS2 nanoribbons.” Journal of Physics D: Applied Physics 49.11 (2016): 115303.

Wang, Lihua, et al. “Negative differential resistance effect in similar right triangle graphene devices.” Journal of Computational Electronics (2016): 1-7.

El-Nahas, Ahmed M., Aleksandar Staykov, and Kazunari Yoshizawa. “First-Principles Calculations of Electron Transport through Azulene.” The Journal of Physical Chemistry C 120.17 (2016): 9043-9052.

Szafranski, Mateusz, Adam Kawalec, and Andrzej Dukata. “Modelling Carbon Nanotube coated structures. Comparison of simulation methods.”2016 21st International Conference on Microwave, Radar and Wireless Communications (MIKON). IEEE, 2016.

Deng, X. Q., et al. “Modulation of the spin transport properties of the iron-phthalocyanine molecular junction by carbon chains with different connection sites.” Organic Electronics 35 (2016): 1-5.

Parashar, Sweta, and Pankaj Srivastava. “A novel reverse rectifying effects and negative differential resistance in asymmetric X-biphenyl-X (X= Pt, Pd, Pb) molecular junctions.” Solid State Communications 231 (2016): 10-13.

Berdiyorov, G. R., et al. “Electronic transport in organometallic perovskite CH3NH3PbI3: The role of organic cation orientations.” Applied Physics Letters 108.5 (2016): 053901.

Ni, Yun, et al. “Spin-filter and negative differential resistance effect in zigzag-edged bilayer graphene nanoribbon devices.” AIP Advances 6.2 (2016): 025216.

Berdiyorov, G. R., et al. “Effect of halide-mixing on the electronic transport properties of organometallic perovskites.” Solar Energy Materials and Solar Cells 148 (2016): 2-10.

Liang, Xiu Yan, et al. “Polysilane-Wrapped Carbon and Boron-Nitride Nanotubes: Effects of B or P Doping on Electron Transport.” The Journal of Physical Chemistry C 120.10 (2016): 5741-5754.

Wang, Lihua, et al. “Nitrogen Doping Position-Dependent Rectification of Spin-Polarized Current and Realization of Multifunction in Zigzag Graphene Nanoribbons with Asymmetric Edge Hydrogenation.” Journal of Electronic Materials 45.2 (2016): 1165-1174.

Chen, Wei, et al. “Spin-dependent transport properties in covalent–organic molecular device with graphene nanoribbon electrodes.” Computational and Theoretical Chemistry 1091 (2016): 85-91.

Berdiyorov, G. R., et al. “Effect of crystal structure on the electronic transport properties of the organometallic perovskite CH 3 NH 3 PbI 3.” Solar Energy Materials and Solar Cells 148 (2016): 60-66.

Zeng, Jing, et al. “Light-driven strong spin valve effects in an azobenzene-based spin optoelectronic device.” Journal of Physics D: Applied Physics 49.41 (2016): 415104.

Berdiyorov, G. R., H. Bahlouli, and F. M. Peeters. “Effect of substitutional impurities on the electronic transport properties of graphene.” Physica E: Low-dimensional Systems and Nanostructures 84 (2016): 22-26.

Gracia-Espino, Eduardo, et al. “Electron transport study on functionalized armchair graphene nanoribbons: DFT calculations.” RSC Advances 6.26 (2016): 21954-21960.

Wang, Lihua, et al. “Vertex-Atom-Dependent Rectification in Triangular h-BNC/Triangular Graphene Heterojunctions.” Journal of Electronic Materials (2016): 1-7.

Maity, Ajanta, et al. “Structural, electronic, mechanical, and transport properties of phosphorene nanoribbons: Negative differential resistance behavior.” Physical Review B 94.7 (2016): 075422.

Lei, Sidong, et al. “Surface functionalization of two-dimensional metal chalcogenides by Lewis acid–base chemistry.” Nature nanotechnology 11.5 (2016): 465-471.

Jiang, X. W., Q. Yang, and J. X. Cao. “The effect of domain walls on leakage current in PbTiO 3 thin films.” Physics Letters A 380.9 (2016): 1071-1074.

Rai, Hari Mohan, et al. “Possibility of spin-polarized transport in edge fluorinated armchair boron nitride nanoribbons.” RSC Advances 6.13 (2016): 11014-11022.

Qiu, Ming, et al. “Band gap opening and semiconductor–metal phase transition in (n, n) single-walled carbon nanotubes with distinctive boron–nitrogen line defect.” Physical Chemistry Chemical Physics 18.6 (2016): 4643-4651.

Ghorbani-Asl, Mahdi, et al. “Effect of compression on the electronic, optical and transport properties of MoS2/graphene-based junctions.” 2D Materials 3.2 (2016): 025018.

Zhou, Yi, JiChen Dong, and Hui Li. “Multifunctional heterostructures constructed using MoS2 and WS2 nanoribbons.” Physical Chemistry Chemical Physics (2016).

Zhang, Dan, et al. “Spin-resolved transport properties in zigzag α-graphyne nanoribbons with symmetric and asymmetric edge fluorinations.” RSC Advances 6.18 (2016): 15008-15015.

Choe, Jeongheon, et al. “Direct imaging of rotating molecules anchored on graphene.” Nanoscale 8.27 (2016): 13174-13180.

Hayashi, Daisuke, et al. “Thermoelectric properties of single-wall carbon nanotube films: Effects of diameter and wet environment.” Applied Physics Express 9.2 (2016): 025102.

Liu, N., et al. “Efficient spin-filter and negative differential resistance behaviors in FeN4 embedded graphene nanoribbon device.” Journal of Applied Physics 119.10 (2016): 104301.

Berdiyorov, G. R., and M. E. Madjet. “Structural, electronic transport and optical properties of functionalized quasi-2D TiC 2 from first-principles calculations.” Applied Surface Science (2016).

Zeng, Jing, Fang Xie, and Ke-Qiu Chen. “High-efficiency spin-filtering and magnetoresistance effects in supramolecular spin valves.” Carbon 98 (2016): 607-612.

Li, Jie, et al. “Distinctive Electron Transport on Pyridine-Linked Molecular Junction with Narrow Monolayer Graphene Nanoribbons Electrodes Compared with Metal Electrodes and Graphene Electrodes.” Physical Chemistry Chemical Physics (2016).

Zeng, Jing, Ke-Qiu Chen, and Mengqiu Long. “Hydrogen tautomerization: A simple approach to tune spin-filtering effects in a quinone-based spintronic device.” Organic Electronics 35 (2016): 12-16.

Wang, Lihua, et al. “Tuning electronic transport of zigzag graphene nanoribbons by ordered B or N atom doping.” Journal of Computational Electronics (2016): 1-7.

Sakata, Kaoruho, et al. “The effects of uniaxial and biaxial strain on the electronic structure of germanium.” Computational Materials Science 112 (2016): 263-268.

Matsuura, Yukihito. “Electronic transport properties of silicon clusters.” Chemical Physics Letters 645 (2016): 97-99.

Yuan, Jianmei, et al. “Computational design of smallest nanotube junctions in 0.3 nm diameter.” Materials & Design 95 (2016): 641-647.

Tan, Chang-Ming, et al. “Spin filtering and rectifying effects in the zinc methyl phenalenyl molecule between graphene nanoribbon leads.” Organic Electronics 28 (2016): 244-251.

Jiang, Cheng-Huan, et al. “Structure and Spin-Polarized Transport of Co Atomic Chains on Graphene with Topological Line Defects.” Journal of Cluster Science 27.3 (2016): 875-882.

Bansal, Akansha, et al. “First Principles Calculations of Bonding and Charges at the Al 2 Interface in a c-Si/SiO 2 O 3 Interface in a c-Si/SiO 2/am-Al 2 O 3 Structure Applicable for the Surface Passivation of Silicon-Based Solar Cells.” IEEE Transactions on Electron Devices 63.2 (2016): 544-550.

Liu, Y., et al. “Electronic and transport features of zigzag boron nitride nanoribbons with nonmetallic atom terminations.” Organic Electronics 38 (2016): 292-300.

Izawa, Tetsumi, Kengo Takashima, and Takahiro Yamamoto. “Edge‐disorder‐induced optimization of thermoelectric performance of finite‐length graphene nanoribbons.” Surface and Interface Analysis (2016).

Berdiyorov, G. R. “Optical properties of functionalized Ti3C2T2 (T= F, O, OH) MXene: First-principles calculations.” AIP Advances 6.5 (2016): 055105.

Yang, Zhi, et al. “The thermal properties and thermoelectric performance of γ-graphyne nanoribbons.” Journal of Physics D: Applied Physics 49.14 (2016): 145102.

Srivastava, Pankaj, Subhra Dhar, and Neeraj K. Jaiswal. “Half metallic transition in silver-adsorbed zigzag graphene nanoribbons.” Adv. Mater. Lett. 2016, 7(9), 708-712

Zeng, Qingyi, et al. “The transport properties of the Phosphorus and Chlorine doped single layer MoS 2 p–n junctions: A first-principles study.” Solid State Communications 246 (2016): 82-87.

Parveen, Nadia, et al. “Single-atom conductance of Y.” Physica B: Condensed Matter 488 (2016): 57-61.

Xie, Fang, et al. “Effects of stretching and compression on conducting properties of an Au–alkanedithiol–Au molecular junction.” Chemical Physics 467 (2016): 21-25.

Cheng, Jue-Fei, et al. “The electron and spin polarized transport in wide-voltage-ranges through colbaltporphyrin-based molecular junctions.” The Journal of chemical physics 144.8 (2016): 084707.

Ouyang, Jun, et al. “Modulating the spin transport behaviors in ZBNCNRs by edge hydrogenation and position of BN chain.” AIP Advances 6.3 (2016): 035116.

Shang, Yan, et al. “Electronic and transport properties of [V (Bz) 2] n@ SWCNT and [V (Bz) 2] n@ DWCNT nanocables.” RSC Advances 6.50 (2016): 44041-44049.

Zhang, W. Q., et al. “Interface effect on leakage current of ferroelectric film.” Computational Materials Science 115 (2016): 120-124.

Fan, Zhi-Qiang, et al. “Giant decreasing of spin current in a single molecular junction with twisted zigzag graphene nanoribbon electrodes.” Carbon 110 (2016): 200-206.

Liu, J., et al. “Insight into negative differential resistance in polyphenylene molecular device with graphene electrodes.” Organic Electronics 33 (2016): 1-8.

Gan, Tian, et al. “Electronic and transport properties of the (VBz) n@ MoS 2 NT nanocable.” Physical Chemistry Chemical Physics 18.6 (2016): 4385-4393.

Hariharan, R. M., and D. John Thiruvadigal. “Effect of anchoring atom and electrostatic gating on the electronic transport properties in single molecular electronic devices.” Journal of Materials Science: Materials in Electronics (2016): 1-9.

Liu, Wenjiang, Xiaoqing Deng, and Shaohong Cai. “Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites.” AIP Advances 6.7 (2016): 075103.

Gunst, Tue, et al. “First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials.” Physical Review B 93.3 (2016): 035414.

Matsuura, Yukihito. “Tunneling magnetoresistance of silicon chains.” Journal of Applied Physics 119.20 (2016): 205501.

Lu, Anh Khoa Augustin, et al. “Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10 nm regime: A first-principles study.” Applied Physics Letters 108.4 (2016): 043504.

Deng, X. Q., et al. “Spin-filtering and rectifying effects for Al-doped zigzag-edged silicene nanoribbons with asymmetric edge hydrogenation.” Organic Electronics 32 (2016): 41-46.

Tang, Qide, et al. “Charge transport properties of graphene: Effects of Cu-based gate electrode.” Journal of Applied Physics 120.3 (2016): 035101.

Li, Xin-Mei, et al. “Effects of line defects on spin-dependent electronic transport of zigzag MoS2 nanoribbons.” AIP Advances 6.1 (2016): 015015.

An, Yipeng, et al. “The magnetism and spin-dependent electronic transport properties of boron nitride atomic chains.” The Journal of Chemical Physics 145.4 (2016): 044301.

Harada, Naoki, and Shintaro Sato. “Electronic properties of NH4-adsorbed graphene nanoribbon as a promising candidate for a gas sensor.” AIP Advances 6.5 (2016): 055023.

Jiang, Liming, et al. “Feasibility study of molecular memory device based on DNA using methylation to store information.” Journal of Applied Physics 120.2 (2016): 025501.

Sun, Cuicui, et al. “Electronic and transport properties of PSi@ MoS 2 nanocables.” Physical Chemistry Chemical Physics 18.6 (2016): 4333-4344.

Ji, Xiao-Li, et al. “Giant rectification in graphene nanoflake molecular devices with asymmetric graphene nanoribbon electrodes.” Physics Letters A 380.39 (2016): 3198-3205.

Zhou, Yuhong, et al. “Negative differential resistance and rectifying performance induced by doped graphene nanoribbons p–n device.” Physics Letters A 380.9 (2016): 1049-1055.

Al-Dirini, Feras, et al. “Monolayer MoS2 self-switching diodes.” Journal of Applied Physics 119.4 (2016): 044506.

Cui, Li-ling, et al. “Spin-dependent transport properties of hetero-junction based on zigzag graphene nanoribbons with edge hydrogenation and oxidation.” Physics Letters A 380.5 (2016): 730-738.

Zahir, Ali, et al. “EE-BESD: molecular FET modeling for efficient and effective nanocomputing design.” Journal of Computational Electronics 15.2 (2016): 479-491.

Structral Stability of Functionalized Silicene Nanoribbons with Normal, Reconstructed, and Hybrid Edges

Ray, S. J. “First-principles study of MoS 2, phosphorene and graphene based single electron transistor for gas sensing applications.” Sensors and Actuators B: Chemical 222 (2016): 492-498.

Ray, S. J., M. Venkata Kamalakar, and R. Chowdhury. “Ab initio studies of phoshorene island single electron transistor.” Journal of Physics: Condensed Matter 28.19 (2016): 195302.

Zhai, Bao-gai, et al. “Mechanism of the prolongation of the green afterglow of SrAl 2 O 4: Dy 3+ caused by the use of H 3 BO 3 flux.” Journal of Luminescence (2016).

Dey, Debarati, et al. “A First Principle Approach to Design Gated pin Nanodiode.” Journal of Nano Research. Vol. 36. Trans Tech Publications, 2016.

Zhang, Han, et al. “Magnetoresistance in Co/2D MoS 2/Co and Ni/2D MoS 2/Ni junctions.” Physical Chemistry Chemical Physics (2016).

Tripathy, Srijeet, and Tarun Kanti Bhattacharyya. “Role of inter-tube coupling and quantum interference on electrical transport in carbon nanotube junctions.” Physica E: Low-dimensional Systems and Nanostructures (2016).

Al-Dirini, Feras, et al. “Tuneable graphene nanopores for single biomolecule detection.” Nanoscale 8.19 (2016): 10066-10077.

Bhat, Bashir Mohi Ud Din, Jehangir Rashid Dar, and Pratima Sen. “Effect of nitrogen doping and hydrogen confinement on the electronic properties of a single walled carbon nanotube.” Carbon letters 17.1 (2016): 29-32.

Biswal, Sudhansu Mohan, et al. “Study of effect of gate-length downscaling on the analog/RF performance and linearity investigation of InAs-based nanowire Tunnel FET.” Superlattices and Microstructures 91 (2016): 319-330.

Armaković, Stevan, and Sanja J. Armaković. “Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets.” Journal of Physics and Chemistry of Solids 98 (2016): 156-166.

Velázquez, Daniel, et al. “Tailoring the emissive properties of photocathodes through materials engineering: Ultra-thin multilayers.” Applied Surface Science 360 (2016): 762-766.

Jiang, Liming, et al. “Non-equilibrium tunneling in zigzag graphene nanoribbon break-junction results in spin filtering.” Journal of Applied Physics 119.5 (2016): 053902.

Abhinav, E. Meher, et al. “Analysis of Molecular Single-Electron Transistors Using Silicene, Graphene and Germanene.” Proceedings of the Second International Conference on Computer and Communication Technologies. Springer India, 2016.

MALDONADO, FRANK, and ARVIDS STASHANS. “DFT MODELING OF BENZOYL PEROXIDE ADSORPTION ON α-Cr2O3 (0001) SURFACE.”Surface Review and Letters: 1650037.

Abhinav, E. Meher, et al. “Analysis of Organic Molecular Single-Electron Transistor Using C4H6B2 with Different Metal Electrodes.” Proceedings of the Second International Conference on Computer and Communication Technologies. Springer India, 2016.

Yamacli, Serhan. “Investigation and comparison of bare-dihydrogenated junction rectifiers of graphene and silicene nanoribbons.” Journal of Computational Electronics 15.2 (2016): 389-399.

Jing, Ziang, et al. “Doping Effect of Graphene Nanoplatelets on Electrical Insulation Properties of Polyethylene: From Macroscopic to Molecular Scale.” Materials 9.8 (2016): 680.

Khazaei, Mohammad, et al. “Nearly free electron states in MXenes.” Physical Review B 93.20 (2016): 205125.

Li, Xinming, et al. “Large‐Area Ultrathin Graphene Films by Single‐Step Marangoni Self‐Assembly for Highly Sensitive Strain Sensing Application.” Advanced Functional Materials 26.9 (2016): 1322-1329.

Cai, Zhengxu, et al. “Exceptional Single-Molecule Transport Properties of Ladder-Type Heteroacene Molecular Wires.” Journal of the American Chemical Society (2016).

Sarswat, Prashant K., et al. “Dopants induced structural and optical anomalies of anisotropic edges of black phosphorous thin films and crystals.” Ceramics International 42.11 (2016): 13113-13127.

Beach, Benjamin, Dustin Sauriol, and Pedro Derosa. “Spin-Controlled Conductivity in a Thiophene-Functionalized Iron-Bis (dicarbollide).” Journal of Electronic Materials 45.4 (2016): 2150-2159.

Zheng, Jue-Ting, et al. “Electrochemically assisted mechanically controllable break junction studies on the stacking configurations of oligo (phenylene ethynylene) s molecular junctions.” Electrochimica Acta 200 (2016): 268-275.

Zhang, Dan, et al. “Hydrogenations and electric field induced magnetic behaviors in armchair silicene nanoribbons.” Scientific reports 6 (2016).

Zerveas, George, et al. “Comprehensive comparison and experimental validation of band-structure calculation methods in III–V semiconductor quantum wells.” Solid-State Electronics 115 (2016): 92-102.

张华林, 孙琳, and 王鼎. “含单排线缺陷锯齿型石墨烯纳米带的电磁性质.” 物理学报 65.1 (2016): 16101-016101.

Sun, Jian, Manoharan Muruganathan, and Hiroshi Mizuta. “Room temperature detection of individual molecular physisorption using suspended bilayer graphene.” Science advances 2.4 (2016): e1501518.

Barker, James, Gregor Bollerhey, and Jan Hamaekers. “A multilevel approach to the evolutionary generation of polycrystalline structures.” Computational Materials Science 114 (2016): 54-63.

Srivastava, Anurag, Hari Shankar Tewari, and Aniruddha Mukherjee. “Synthesis and Structural Characterization of Ni1–x Cd x Fe2O4: Experiment and Theory.” Quantum Matter 5.3 (2016): 411-416.

IEEE Transactions on Nanotechnology ( Volume: 15, Issue: 5, Sept. 2016 ) Caliskan, Serkan, Sadik Guner, and Osman Gurbuz. “Electronic structure properties of doped and imperfect ZnO sheets.” (2016).

Kobayashi, Yu, et al. “Modulation of electrical potential and conductivity in an atomic-layer semiconductor heterojunction.” Scientific Reports 6 (2016).

Gibbs, Josh, et al. “Interpretation of Molecular Device Transport Calculation.” Canadian Journal of Chemistry (2016).

井澤哲美, 髙島健悟, and 山本貴博. “ナノ構造制御によるグラフェンナノリボンの熱電性能の最適化.” 表面科学 37.8 (2016): 348-353.

Sinha, Swati, et al. “On the Electronic Properties of Guanine Functionalized Zigzag Single-Walled Carbon-Nanotube.” Journal of Nanoengineering and Nanomanufacturing 6.1 (2016): 3-8.

Yang, Lifang, Wenbo Mi, and Xiaocha Wang. “Schottky potential barrier and spin polarization at Co/antimonene interfaces.” RSC Advances 6.45 (2016): 38746-38752.

Bessis, C., et al. “Probing electron-phonon excitations in molecular junctions by quantum interference.” Scientific reports 6 (2016).

Zhou, Yuhong, et al. “Electronic and Transport Properties of Ti2CO2 MXene Nanoribbons.” The Journal of Physical Chemistry C 120.30 (2016): 17143-17152.

Saha, Dipankar, and Santanu Mahapatra. “Analytical insight into the lattice thermal conductivity and heat capacity of monolayer MoS 2.” Physica E: Low-dimensional Systems and Nanostructures (2016).

Yuan, Shundong, et al. “Theoretical study of electron transport properties of bimolecular junctions: Effect of molecular arrangement and species.” Computational Materials Science 113 (2016): 53-59.

Kinoshita, Keiji, et al. “Theoretical Studies on the Magnetic and Conductive Properties of Crystals Containing Open-Shell Trioxotriangulene Radicals.” Bulletin of the Chemical Society of Japan 0 (2016).

Engelund, Mads, et al. “Search for a Metallic Dangling-Bond Wire on H-Passivated Semiconductor Surface.” The Journal of Physical Chemistry C (2016).

Koo, Joonhoi, et al. “Near‐Infrared Saturable Absorption of Defective Bulk‐Structured WTe2 for Femtosecond Laser Mode‐Locking.” Advanced Functional Materials (2016).

Pan, Yuanyuan, et al. “Interfacial Properties of Monolayer MoSe2-Metal Contacts.” The Journal of Physical Chemistry C (2016).

Pan, Yuanyuan, et al. “Monolayer Phosphorene–Metal Contacts.” Chemistry of Materials 28.7 (2016): 2100-2109.

Horsfield, Andrew P., et al. “Efficient simulations with electronic open boundaries.” Physical Review B 94.7 (2016): 075118.

Ekspong, Joakim, et al. “Stabilizing Active Edge Sites in Semicrystalline Molybdenum Sulfide by Anchorage on Nitrogen‐Doped Carbon Nanotubes for Hydrogen Evolution Reaction.” Advanced Functional Materials (2016).

de Oteyza, Dimas G., et al. “Non-Covalent Dimerization after Enediyne Cyclization on Au (111).” Journal of the American Chemical Society (2016).

Lisesivdin, Sefer Bora, Beyza Sarikavak-Lisesivdin, and Ekmel Ozbay. “15 Effects of the Interaction.” Graphene Science Handbook: Electrical and Optical Properties (2016): 221.

Naskar, Barnali, et al. “Fluorescent sensing of Al 3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism.” Sensors and Actuators B: Chemical 239 (2017): 1194-1204.

Saha, Dipankar, and Santanu Mahapatra. “Atomistic modeling of the metallic-to-semiconducting phase boundaries in monolayer MoS2.” Applied Physics Letters 108.25 (2016): 253106.

Ray, S. J. “Gate engineered performance of single molecular transistor.” Journal of Applied Physics 119.20 (2016): 204302.

Agarwal, Sarvesh, et al. “Metal Carbon Nanotube Schottky Barrier Diode with Detection of Polar Non-polar Gases.” 2016 29th International Conference on VLSI Design and 2016 15th International Conference on Embedded Systems (VLSID). IEEE, 2016.

Burzurí, Enrique, et al. “Sequential Electron Transport and Vibrational Excitations in an Organic Molecule Coupled to Few-Layer Graphene Electrodes.” ACS nano 10.2 (2016): 2521-2527.

Dutta, Tapas, et al. “Impact of Channel Thickness Variation on Bandstructure and Source-to-Drain Tunneling in Ultra-Thin Body III-V MOSFETs.” IEEE Journal of the Electron Devices Society 4.2 (2016): 66-71.

Chanana, Anuja, and Santanu Mahapatra. “Density functional theory based study of chlorine doped WS2-metal interface.” Applied Physics Letters 108.10 (2016): 103107.

Chanana, Anuja, and Santanu Mahapatra. “Prospects of zero Schottky barrier height in a graphene-inserted MoS2-metal interface.” Journal of Applied Physics 119.1 (2016): 014303.

Saha, Dipankar, and Santanu Mahapatra. “Theoretical insights on the electro-thermal transport properties of monolayer MoS2 with line defects.” Journal of Applied Physics 119.13 (2016): 134304.

Stradi, Daniele, et al. “General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function.” Physical Review B 93.15 (2016): 155302.

Chakrabarty, Aurab, et al. “Influence of surface vacancy defects on the carburisation of Fe 110 surface by carbon monoxide.” The Journal of Chemical Physics 145.4 (2016): 044710.

Al Balushi, Zakaria Y., et al. “Two-dimensional gallium nitride realized via graphene encapsulation.” Nature Materials (2016).

Fan Z Q, Zhang Z H, Deng X Q, et al. Effect of electrode twisting on electronic transport properties of atomic carbon wires[J]. Carbon, 2016, 98:179-186.