List of publications

  1. G. Yamnam, T. Pandey, and A. K. Singh, Interplay of Structural and Bonding Characters in Thermal Conductivity and Born-Effective Charge of Transition Metal Dichalcogenides J. Phys. Chem. C In Press (2018)
  2. V. Kochat*, A. Samanta*, Y. Zhang, S. Bhowmick, P. Manimunda, S. A. S. Asif, A. Stender, R. Vajtai, A. K. Singh, C. S. Tiwary, P. M. Ajayan, Atomically thin gallium layers from solid-melt exfoliation Science Advances In Press (2018)
  3. R. Kumar, D. Das, and A. K. Singh, C2N/WS2 Van der Waals Type-II Heterostructure as a Promising Water Splitting Photocatalyst J. Catal. 359, 143 (2018)
  4. R. Koizumi, S. Ozden, A. Samanta, A. P. Alves, A. Mishra, G. Ye, G. G. Silva, R. Vajtai, A. K. Singh, C. S. Tiwary, and P. M. Ajayan, Origami inspired Three-Dimensional Interconnected Molybdenum Carbide Nanoflakes Adv. Mater. Interfaces 1701113 (2018)
  5. S. Shetty, S. K. Sinha, R. Ahmad, A. K. Singh, G. Van Tendeloo, and N. Ravishankar, Existence of Tii2+ states on the surface of heavily reduced SrTiO3 nanocubes Chem. Mater. 29, 9887 (2017)
  6. S. Vinod, C. S. Tiwary, A. Samanta, S. Ozden, T. N. Narayanan, R. Vajtai, V. Agarwal, A. K. Singh, G. John, and P. M. Ajayan, Graphene Oxide Epoxy (GO-xy): GO as Epoxy Adhesive by Interfacial Reaction of Functionalitie Adv. Mater. Interfaces 1700657 (2017)
  7. R. Sakurada, M. Uzawa, Y. Hosokawa, S-i Uchida, Y. Kawazoe, R. V. Belosludov, A. Manjanath, and A. K. Singh, Initial water adsorption property of Manganese-doped belite by first-principles calculation, J. Civil Eng. Architect. Res 4, 2011 (2017)
  8. J-S. Kim, R. Ahmad, T. Pandey, A. Rai, S. Feng, J. Yang, Z. Lin, M. Terrones, S. Banerjee, A. K. Singh, D. Akinwande, and J-F Lin, Towards Band Structure and Band Offset Engineering of Monolayer Mo(1-x)W(x)S2 via Strain 2D Materials 5, 015008 (2017)
  9. D. Das, R. Hardikar, S.-S. Han, K.-R. Lee, and A. K. Singh, Monolayer BC2: an ultrahigh capacity anode material for Li ion batteries Phys. Chem. Chem. Phys. 19, 24230 (2017)
  10. A. Mishra, P. Srivastava, A. Carreras, I. Tanaka, H. Mizuseki, K.-R. Lee, and A. K. Singh, Atomistic Origin of Phase Stability in Oxygen Functionalized MXene: A Comparative Study J. Phys. Chem. C 121, 18947 (2017)
  11. R. Ahmad and A. K. Singh, Simultaneous Site Adsorption Shift and Efficient CO Oxidation Induced by V and Co in Pt Catalyst J. Phys. Chem. C 121, 12807 (2017)
  12. S. Radhakrishnan, D. Das, A. Samanta, C. Reyes, L. Deng, L. B. Alemany, T. K. Weldeghiorghis, V. N. Khabashesku, V. Kochat, Z. Jin, P. M. Sudeep, A. A. Martí, C.-W. Chu, A. Roy, C. S. Tiwary, A. K. Singh, P. M. Ajayan, Fluorinated h-BN as magnetic semiconductor Science Advances 3, e1700842 (2017)
  13. K. Ghosh, A. Roy, S. Tripathi, S. Ghule, A. K. Singh, and N Ravishankar, Insights into Nucleation, Growth and Phase Selection of WO3: Morphology control and Electrochromic Property J. Mater. Chem. C 5, 7307 (2017)
  14. A. Roy, K. R. Amin, S. Tripathi, S. Biswas, A. K. Singh, A. Bid, and N. Ravishankar, Manipulation of Opto-electronic Properties and Band Structure Engineering of Ultrathin Te Nanowires by Chemical Adsorption ACS Appl. Mater. Interfaces 9, 19462 (2017)
  15. N. Baler, A. Samanta, S. K. Makineni, T. Alam, P. Pandey, A. K. Singh, R. Banerjee and K. Chattopadhyay, Effect of Cr addition on γ - γ', Cobalt based Co-Mo-Al-Ta class of superalloys: a combined experimental and computational study J. Mater. Sci. 52, 11036 (2017)
  16. A. Manjanath, A. Roy, A. Samanta, and A. K. Singh, Negative differential resistance in armchair silicene nanoribbons Nanotechnology 28, 275402 (2017)
  17. Z. Wang, V. Kochat, P. Pandey, S. Kashyap, S. Chattopadhyay, A. Samanta, S. Sarkar, P. Manimunda, X. Zhang, S. A. Asif, A. K. Singh, K. Chattopadhyay, C. S. Tiwary, P. M. Ajayan, Utilizing metal immiscibility to create two-dimensional metal carbide, boride and nitrides on Copper Adv. Mater. 2017, 1700364 (2017)
  18. S. Gupta, R. Juneja, R. Shinde, and A. K. Singh, Topologically nontrivial electronic states in CaSn3 J Appl. Phys. 121, 214901 (2017)
  19. R. Juneja, T. Pandey, and A. K. Singh, High Thermoelectric Performance in n-doped Silicon-Based Chalcogenide Si2Te3 Chem Mater. 29, 3723 (2017)
  20. A. Chandrasekaran, A. Mishra, and A. K. Singh, Ferroelectricity, Antiferroelectricity and Ultrathin 2D Electron/Hole Gas in Multifunctional Monolayer MXene Nano Lett. 17, 3290 (2017)
  21. R. K. Biroju, D. Das, R. Sharma, S. Pal, L. P. L. Mawlong, K. Bhorkar, P. K. Diri, A. K. Singh, and T. N. Narayanan, Hydrogen Evolution Reaction Activity of Graphene−MoS2 van der Waals Heterostructures ACS Energy Lett. 2, 1355 (2017)
  22. D. Chatterjee, A. Reghunath, K. Kamalnath, R. Ahmad, A. K. Singh, and N. Ravishankar, Orientation Selection During Heterogeneous Nucleation: Implications for Heterogeneous Catalysis J. Phys. Chem. C 121, 10027 (2017)
  23. D. Das and A. K. Singh, Recent progresses in band gap opening in graphene Bull. Soc. Nano Sci. Tech. 15, 47 (2017)
  24. S. Ray, P. Tadge, S. J. Dhole, G. B. Nair, A. Singh, A. K. Singh, M. Rai, T. M. Chen, and V. Rajput, Structural and spectroscopic characterizations of a new near-UV-converting cyan-emitting RbBaScSi3O9:Eu2+ phosphor with robust thermal performance J. Alloys Compd. 713, 138 (2017)
  25. B. Ram and A. K. Singh, Strain-induced indirect to direct band gap transition in bulk SnS2 Phys. Rev. B, 95, 075134 (2017)
  26. J. Wu, L. Ma, A. Samanta, M. Liu, B. Li, Y. Yang, J. Yuan, J. Zhang, Y. Gong, J. Lou, R. Vajtai, B. Yakobson, A. K. Singh, C. S. Tiwary, P. M. Ajayan, Growth of Molybdenum Carbide-Graphene Hybrids from Molybdenum Disulfide Atomic Layer Adv. Mater. Interfaces 1600866, (2017)
  27. R. Sruthi, A. Samanta, C.S. Tiwari, P. M. Sudeep, K. Maldonado, S. A. Mani, A. K. Singh, and P. M. Ajayan, Metal Free Dual Modal Contrast Agents based on Fluorographene Quantum Dots Part. Part. Syst. Charact. 34, 1600221 (2017)
  28. A. P. P. Alves, R. Koizumi, A. Samanta, L. D. Machado, A. K. Singh, D. S. Galvao, C. S. Tiwary, G. G. Silva and P. M. Ajayan, One-Step Electrodeposited 3D-Ternary Composite of Zirconia nanoparticles, rGO and PolyPyrrole with Enhanced Electrochemical Performance Nano Energy 31, 225 (2017)
  29. K. R. Amin, S. Kundu, S. Biswas, A. Roy, A. K. Singh, N. Ravishankar, and A. Bid, Effect of ambient on electrical transport properties of ultra-thin Au Nanowires Appl. Phys. Lett. 109, 253108 (2016)
  30. D. Das, S. Bhattacharyya, Enrique Muñoz, and A. K. Singh, Strain-induced chiral symmetry breaking leads to large Dirac cone splitting in graphene/graphane heterostructure Phys. Rev. B, 94, 115438 (2016)
  31. P. Srivastava, A. Mishra, H. Mizuseki, K-R. Lee, and A. K. Singh, Mechanistic Insight into the Chemical Exfoliation and Functionalization of Ti3C2 MXene ACS Appl. Mater. Interfaces, 8, 24256 (2016)
  32. B. Narayan, Y. A. Sorub, B. Loukya, A. Samanta, A. Senyshyn, R. Datta, A. K. Singh, C. Narayana, and R. Ranjan, Interferroelectric Transition as Another Manifestation of Intrinsic Size Effect in Ferroelectrics Phys. Rev. B, 94, 104104 (2016)
  33. S. Gupta, T. Pandey, and A. K. Singh, Suppression of Jahn-Teller distortions and origin of piezochromism and thermochromism in Cu-Cl hybrid perovskite Inorg. Chem., 55, 6817 (2016)
  34. T. Pandey, A. P. Nayak, J. Liu, S. T. Moran, J-S Kim, L-J Li, J.-F. Lin, D. Akinwande, and A. K. Singh, Pressure-induced charge transfer doping of monolayer Graphene/MoS2 heterostructure Small, 12 , 4063 (2016)
  35. A. Nissimagoudar, A. Manjanath, and A. K. Singh, Diffusive nature of thermal transport in stanene Phys. Chem. Chem. Phys. 18, 14257 (2016)
  36. A. Mishra, P. Srivastava, H. Mizuseki, K-R. Lee, and A. K. Singh, Isolation of pristine MXene from Nb4AlC3 MAX phase: A first-principles study Phys. Chem. Chem. Phys. 18, 11073 (2016)
  37. R. Ahmad, P.L. Bora, and A. K. Singh, "Capping" Out Oxygen Interference: An Approach to Achieve Efficient Hydrogen Storage via Kubas Binding, Int. J. Hydrogen Energ., 41, 5979 (2016)
  38. T. Pandey, and A. K. Singh, Simultaneous enhancement of electrical conductivity and thermopower in Bi2S3 under hydrostatic pressure, J. Mater. Chem. C, 4, 1979 (2016)
  39. B. R. Sharma, A. Manjanath, and A. K. Singh, Simultaneous tunablility of electronic and phononic gap in SnS2 under normal compressive strain, 2D Materials 3, 015009 (2016)
  40. S. Bhattacharyya and A. K. Singh, Lifshitz transition and modulation of electronic and transport properties of bilayer graphene by sliding and applied normal compressive strain Carbon, 99, 432 (2016)
  41. G. Yumnam, T. Pandey, and A. K. Singh, High temperature thermoelectric properties of Zr and Hf based transition metal dichalcogenides: A first principles study, J. Chem. Phys., 143, 234704 (2015)
  42. A. Leelavathi, R. Ahmad, A. K. Singh, G. Madras, and N. Ravishankar, Graphene Oxide supported ultrathin Au Nanowires: Efficient Electrocatalyst for Borohydride Oxidation, Chem. Commun., 51, 16856 (2015)
  43. A. Samanta, M. Jain, and A. K. Singh, Ultra-sensitive pressure dependence of Band Gap of Rutile-GeO2 revealed by Many body perturbation theory, J. Chem. Phys 143, 064703 (2015)
  44. R. P. Hardikar, A. Samanta, A. Manjanath, and A. K. Singh, Vacancy mediated clipping of multi-layered graphene: A precursor for 1, 2 and 3D carbon structures, Carbon 94, 67 (2015)
  45. T. Pandey, and A. K. Singh, High thermopower and ultra low thermal conductivity in Cd-based Zintl phase compounds, Phys. Chem. Chem. Phys. 17, 16917 (2015)
  46. S. K. Makineni, A. Samanta, T. Rojhirunsakool, T. Alam, Nithin B, A. K. Singh, R. Banerjee, and K. Chattopadhyay, A new class of high strength high temperature Cobalt based γ-γ′ Co-Mo-Al alloys stabilized with Ta additioion Acta Materialia 97, 29 (2015)
  47. R. Ahmad, and A. K. Singh, Pt Poisoning Free Efficient CO Oxidation on Pt3Co Supported on MgO(100): An Ab Initio Study, ACS Catalysis 5, 1826 (2015)
  48. R. Sakurada, Y. Kawazoe, and A. K. Singh, First-Principles study on structural stability of belite, ACI Mater. J. 112, 85 (2015)
  49. A. Manjanath*, A. Samanta*, T. Pandey*, and A. K. Singh, Semiconductor to metal transition in bilayer phosphorene under normal compressive strain, Nanotechnology 26, 075701 (2015)
  50. A. P. Nayak, T. Pandey*, D. Voiry, J. Liu, S. T. Moran, A. Sharma, C. Tan, C.-H. Chen, L.-J. Lee, M. Chhowalla, J.-F. Lin, A. K. Singh, and D. Akinwande, Pressure-dependent optical and vibrational properties of monolayer molybdenum disulfide, Nano Lett., 15, 346 (2015)
  51. P.L. Bora, R. Ahmad, and A. K. Singh, Remarkable enhancement in hydrogen storage on free-standing Ti3B and BC3 supported Ti3 clusters, Int. J. Hydrogen Energ. 40, 1054 (2015)
  52. B.R. Sharma*, A. Manjanath*, and A. K. Singh, pentahexoctite: A new two-dimensional allotrope of carbon, Sci. Rep. 4, 7164 (2014)
  53. A. Samanta, T. Pandey, and A. K. Singh, Strain-induced electronic phase transition and strong enhancement of thermopower of TiS2, Phys. Rev. B 90, 174301 (2014)
  54. S. Bhattacharyya, T. Pandey, and A. K. Singh, Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS2, Nanotechnology 25, 465701 (2014)
  55. D. Das, S-S. Han, K-R. Lee, and A. K. Singh, Pressure induced manifold enhancement of Li-kinetics in FCC fullerene, Phys. Chem. Chem. Phys. 16, 21688 (2014)
  56. A. Roy; T. Pandey, N. Ravishankar, A. K. Singh, Semiconductor-like Sensitivity in Metallic Ultrathin Gold Nanowire-based Sensors, J. Phys. Chem. C 118, 18676 (2014)
  57. A. Roy; S. Kundu, K. Mueller, A. Rosenauer, S. Singh, P. Pant, M. Gururajan, P. Kumar, J. Weissmüller A. K. Singh, N. Ravishankar, Wrinkling of Atomic Planes in Ultrathin Au Nanowires, Nano Lett., 14, 4859 (2014)
  58. R. P. Hardikar, D. Das, S-S. Han, K-R. Lee, and A. K. Singh, Boron doped defective graphene as potential anode materials for Li-ion batteries, Phys. Chem. Chem. Phys. 16, 16502 (2014)
  59. A. P. Nayak*, S. Bhattacharyya*, J. Zhu, J. Liu, X. Wu, T. Pandey, C. Jin, A. K. Singh, D. Akinwande, and J-F. Lin, Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide, Nat. Commun., 5, 3731 (2014)
  60. P. L. Bora, and A. K. Singh, Enhancing hydrogen storage capacity of pyridine-based metal organic framework, Int. J. Hydrogen Energ., 39, 9293 (2014)
  61. A. Manjanath, and A. K. Singh, Low formation energy and kinetic barrier of Stone-Wales defect in infinite and finite silicene, Chem. Phys. Lett., 592, 52 (2014)
  62. A. Manjanath, V. Kumar, and A. K. Singh, Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets, Phys. Chem. Chem. Phys., 16, 1667 (2014)
  63. T. Pandey, and A. K. Singh, Origin of enhanced thermoelectric properties of doped CrSi2, R. Soc. Chem. Adv., 4, 3482 (2014)
  64. P. L. Bora, and A. K. Singh, New Insights into Designing Metallacarborane Based Room Temperature Hydrogen Storage Media, J. Chem. Phys., 139, 164319 (2013)
  65. J. M. de Almeida, A. R. Rocha, A. K. Singh, A. Fazzio, and A. J. R. da Silva, Electronic transport in patterned graphene nanoroads, Nanotechnology,24, 495201 (2013)
  66. T. Pandey, D. Parker, D. J. Singh, and A. K. Singh, Thermoelectric properties of β-FeSi2, J. Appl. Phys., 114,153704 (2013)
  67. D. Das, S. Kim, K-R. Lee, and A. K. Singh, Li diffusion through the doped and defected graphene, Phys. Chem. Chem. Phys. 15, 15128 (2013)
  68. A. Roy, T. Pandey, N. Ravishankar, and A. K. Singh, Single crystalline ultrathin gold nanowires: Promising nanoscale interconnects, AIP Adv. 3, 032131 (2013)
  69. L. T. Singh, S. Bhattacharyya, A. K. Singh and K. K. Nanda, Mechanism for the compressive strain induced oscillations in the conductance of carbon nanotubes Phys. Rev. Lett. 110, 095504 (2013)
  70. L. T. Singh, S. Bhattacharyya, A. K. Singh and K. K. Nanda, Electrical properties of buckled multiwalled carbon nanotube arrays in the diffusive regime, Europhys. Lett. 99, 56006 (2012)
  71. S. Bhattacharyya and A. K. Singh, Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides, Phys. Rev. B 86, 075454 (2012)
  72. A. K. Singh and B. I. Yakobson, First principles calculations of H-storage in sorption materials, J. Mater. Sci. 47, 7356 (2012)
  73. S. Bhattacharyya, Y. Kawazoe, and A. K. Singh, Effect of the Edge Type and Strain on the Structural, Electronic and Magnetic Properties of the BNRs, J. Nanosci. Nanotechnol. 12, 1899 (2012)
  74. U. Chandni, P. Kundu, A. K. Singh, N. Ravishankar, and A. Ghosh, Insulating State and Breakdown of Fermi Liquid Description in Molecular-Scale Single-Crystalline Wires of Gold, ACS Nano 5, 8398 (2011)
  75. P. B. Sorokin, H. Lee, L. Yu. Antipina, A. K. Singh, and B. I. Yakobson, Calcium-Decorated Carbyne Networks as Hydrogen Storage Media, Nano Lett. 11, 2660 (2011)
  76. S. Bhowmick, A. K. Singh, and B. I. Yakobson, Quantum Dots and Nanoroads of Graphene Embedded in Hexagonal Boron Nitride, J. Phys. Chem. C 115, 9889 (2011)
  77. A. K. Singh, E. S. Penev, and B. I. Yakobson, Armchair or Zigzag? A tool for characterizing graphene edge, Comput. Phys. Commun. 182, 804 (2011)
  78. A. K. Singh, J. L. Liu, R. S. Aga, and B. I. Yakobson, Hydrogen Storage Capacity of Carbon-Foams: Grand Canonical Monte Carlo Simulations, J. Phys. Chem. C 115, 2476 (2011),(cover article)
  79. M. A. Ribas, A. K. Singh, P. Sorokin and B. I. Yakobson, Patterning Nanoroads and Quantum Dots on Fluorinated Graphene, Nano Res. 4, 143 (2011)
  80. A. K. Singh, A. Sadrzadeh, and B. I. Yakobson, Metallacarboranes: Toward Promising Hydrogen Storage Metal Organic Frameworks, J. Am. Chem. Soc. 132, 14126 (2010)
  81. A. K. Singh, E. S. Penev, and B. I. Yakobson, Vacancy Clusters in Graphane as Quantum Dots, ACS Nano 4, 3510 (2010),(cover article)
  82. E. Munoz, A. K. Singh, M. A. Ribas, E. S. Penev, and B. I. Yakobson, The Ultimate Diamond Slab: GraphAne versus GraphEne, Diam. Relat. Mater. 19, 368 (2010)
  83. A. K. Singh, M. A. Ribas, and B. I. Yakobson, H-Spillover through the catalyst saturation: An Ab Initio Thermodynamics Study, ACS Nano 3, 1657 (2009)
  84. J. Varley, A. Janotti, A. K. Singh, and C. G. Van de Walle, Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations, Phys. Rev. B 79, 245206 (2009)
  85. A. K. Singh, and B. I. Yakobson, Electronics and Magnetism of Patterned Graphene Nanoroads, Nano Lett. 9, 1540 (2009)
  86. A. Sadrzadeh, O. Pupysheva, A. K. Singh, and B. I. Yakobson, The Boron Buckyball and Its Precursors: An Electronic Structure Study, J. Phys. Chem. A 112, 13679 (2008)
  87. A. K. Singh, A. Janotti, M. Scheffler, and C. G. Van de Walle, Sources of electrical conductivity in SnO2, Phys. Rev. Lett. 101, 055502 (2008)
  88. A. K. Singh, A. Sadrzadeh, and B. I. Yakobson, Probing properties of boron α-tubes by ab initio calculations, Nano Lett. 8, 1314 (2008)
  89. P. O. Krasnov, F. Fing, A. K. Singh, and B. I. Yakobson, Clustering of Sc on SWNT and reduction of hydrogen uptake: Ab-initio all-electron calculations, J. Phys. Chem. C 111,179778 (2007)
  90. P. Murugan, A. K. Singh, G. P. Das, and Y. Kawazoe, Structural and magnetic stabilities of cubic and orthorhombic phases of CeMnNi4, Appl. Phys. Lett. 89, 222502 (2006)
  91. V. Kumar, A. K. Singh, and Y. Kawazoe, Charged and magnetic fullerenes of silicon by metal encapsulation: Predictions from ab initio calculations, Phys. Rev. B 74, 125411 (2006)
  92. A. K. Singh, V. Kumar, R. Note, and Y. Kawazoe, Effects of morphology and doping on the electronic and structural properties of hydrogenated silicon nanowires, Nano Lett. 6, 920 (2006)
  93. A. K. Singh, V. Kumar, R. Note, and Y. Kawazoe, Pristine semiconducting [110] silicon nanowires, Nano Lett.5, 2302 (2005)
  94. A. K. Singh, V. Kumar, and Y. Kawazoe, Thinnest semiconducting and insulating nanotubes of SiOx (x = 1,2), Phys. Rev. B 72, 155422 (2005)
  95. A. K. Singh, V. Kumar, and Y. Kawazoe, Thorium encapsulated caged clusters of germanium: Th@Gen, n = 16, 18, and 20, J. Phys. Chem. B, 109, 15187 (2005)
  96. A. K. Singh, V. Kumar, and Y. Kawazoe, Metal encapsulated nanotubes of germanium with metal dependent electronic properties, EPJ D 34, 295 (2005)
  97. A. K. Singh, V. Kumar, and Y. Kawazoe, Stabilizing the silicon fullerene Si20 by thorium encapsulation, Phys. Rev. B 71, 115429 (2005)
  98. A. K. Singh, V. Kumar, and Y. Kawazoe, Design of a very thin direct-band-gap semiconductor nanotube of germanium with metal encapsulation, Phys. Rev. B 71, 075312 (2005)
  99. A. K. Singh, V. Kumar, and Y. Kawazoe, Ferromagnetism and piezo-magnetic hehavior in Mn-doped nanotubes of Ge, Phys. Rev. B 69 , 233409 (2004)
  100. Amarendra K. Singh, Abhishek K. Singh, T. C. Goyal, and R. G. Mendiratta, High performance Ni substituted Mn-Zn ferrites processed By soft chemical technique, J. Magn. Magn. Mater. 281, 276 (2004)
  101. A. K. Singh, V. Kumar, and Y. Kawazoe, Metal encapsulated nanotubes of silicon and germanium, J. Mater. Chem. 14, 555 (2004)
  102. V. Kumar, A. K. Singh, and Y. Kawazoe, Smallest magic caged clusters of Si, Ge, Sn, and Pb by encapsulation of transition metal atom, Nano Lett. 4, 677 (2004)
  103. A. K. Singh, T. M. Briere, V. Kumar, and Y. Kawazoe, Magnetism in transition metal-doped silicon nanotubes, Phys. Rev. Lett. 91, 146802 (2003)
  104. A. K. Singh, V. Kumar, T. M. Briere, and Y. Kawazoe, Cluster assembled metal encapsulated thin nanotubes of silicon, Nano Lett. 2, 1243 (2002)
  105. Book Chapters
  106. T. Pandey, S. Bhattacharyya, A. K. Singh, Strain Dependent Properties of 2D MX2 (M= Mo and W; X= S, Se and Te), Chapter 9 in: 2D Inorganic Materials beyond Graphene, Ed. CNR Rao and UV Waghmare, (2017) (World Scientific)
  107. R. Sakurada, A. K. Singh, and Y. Kawazoe, Structural Properties of Cement Clinker Compound by First- Principles Calculations, Chapter 13 in: Molecular Modeling for the Design of Novel Performance Chemicals and Materials, Ed. Beena Rai, (2012) (CRC Press)
  108. A. K. Singh, V. Kumar and Y. Kawazoe, Theoretical advances in the electronic and atomic structures of silicon nanotubes and nanowires, Chapter 6 in: Nanosilicon, Ed. V. Kumar, p. 217 (2007) (Elsevier, Amsterdam)
  109. Books
  110. Contributor to International Edition of "Introduction To Materials Science and Engineering A Guided Inquiry" Elliot P. Douglas.