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1

Graphene Analogues of BN: Novel Synthesis and Properties

Nag, Angshuman, Raidongia, Kalyan, Hembram, Kailash P. S. S., Datta, Ranjan, Waghmare, Umesh V., Rao, C. N. R.

Journal:

Year:

2010

Language:

english

File:

PDF, 4.24 MB

english, 2010

2

Ni/boride interfaces and environmental embrittlement in Ni-based superalloys: A first-principles study

Suchismita Sanyal, Umesh V. Waghmare, Timothy Hanlon, Ernest L. Hall

Journal:

Materials Science and Engineering: A

Year:

2011

Language:

english

File:

PDF, 404 KB

english, 2011

3

Graphene: A Reusable Substrate for Unprecedented Adsorption of Pesticides

Shihabudheen M. Maliyekkal, T. S. Sreeprasad, Deepti Krishnan, Summayya Kouser, Abhishek Kumar Mishra, Umesh V. Waghmare, T. Pradeep

Journal:

Year:

2012

Language:

english

File:

PDF, 1.84 MB

english, 2012

4

Electronic and vibrational signatures of Stone-Wales defects in graphene: First-principles analysis

Shirodkar, Sharmila N., Waghmare, Umesh V.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.90 MB

english, 2012

5

Interaction of Different Metal Ions with Carboxylic Acid Group: A Quantitative Study

Bala, Tanushree, Prasad, B. L. V., Sastry, Murali, Kahaly, Mousumi Upadhyay, Waghmare, Umesh V.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 240 KB

english, 2007

6

Electronic Structure, Phonons, and Dielectric Anomaly in Ferromagnetic Insulating Double Pervoskite

Das, Hena, Waghmare, Umesh V., Saha-Dasgupta, T., Sarma, D. D.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 245 KB

english, 2008

7

Electronic Structure of Carbon Doped Boron Nitride Nanotubes: A First-Principles Study

Kahaly, Mousumi Upadhyay, Waghmare, Umesh V.

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2008

Language:

english

File:

PDF, 4.85 MB

english, 2008

8

Role of van der Waals interaction to enhance the photon absorption capability of MoS2/2D heterostructure

Saini, Himanshu, Mullapudi Venkata, Jyothirmai, Waghmare, Umesh V., Thapa, Ranjit

Journal:

Physical Chemistry Chemical Physics

Year:

2020

Language:

english

File:

PDF, 5.27 MB

english, 2020

9

Experimental and first-principles theoretical studies on Ag-doped cuprous oxide as photocathode in photoelectrochemical splitting of water

Upadhyay, Sumant, Sharma, Dipika, Singh, Nirupama, Satsangi, Vibha R., Shrivastav, Rohit, Waghmare, Umesh V., Dass, Sahab

Journal:

Journal of Materials Science

Year:

2014

Language:

english

File:

PDF, 793 KB

english, 2014

10

First-Principles Study of Structure, Vibrational, and Elastic Properties of Stoichiometric and Calcium-Deficient Hydroxyapatite

Bhat, Soumya S., Waghmare, Umesh V., Ramamurty, Upadrasta

Journal:

Crystal Growth & Design

Year:

2014

Language:

english

File:

PDF, 3.67 MB

english, 2014

11

Monolayer of

Shirodkar, Sharmila N., Waghmare, Umesh V.

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 2.26 MB

english, 2014

12

Geometric phases and Wannier functions of Bloch electrons in one dimension

Bhattacharjee, Joydeep, Waghmare, Umesh V.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 169 KB

english, 2005

13

LATTICE INSTABILITIES OF BaTiO 3 /SrTiO 3 ARTIFICIAL SUPERLATTICE

KIM, LEEJUN, KIM, JUHO, WAGHMARE, UMESH V., JUNG, DONGGEUN, LEE, JAICHAN

Journal:

Integrated Ferroelectrics

Year:

2005

Language:

english

File:

PDF, 679 KB

english, 2005

14

Electronic structure and properties of layered gallium telluride

U., Sandhya Shenoy, Gupta, Uttam, Narang, Deepa S., Late, Dattatray J., Waghmare, Umesh V., Rao, C.N.R.

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 3.35 MB

english, 2016

15

Covalent Functionalization of Nanosheets of MoS₂ and MoSe₂ by Substituted Benzenes and other Organic Molecules

Vishnoi, Pratap, Sampath, Archana, Waghmare, Umesh V., Rao, C.N.R.

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 10.23 MB

english, 2016

16

Photochemical water splitting by bismuth chalcogenide topological insulators

Rajamathi, Catherine R., Gupta, Uttam, Pal, Koushik, Kumar, Nitesh, Yang, Hao, Sun, Yan, Shekhar, Chandra, Yan, Binghai, Parkin, Stuart, Waghmare, Umesh V., Felser, Claudia, Rao, C.N.R.

Journal:

Year:

2017

Language:

english

File:

PDF, 1.66 MB

english, 2017

17

Structural and Electronic Descriptors of Catalytic Activity of Graphene-Based Materials: First-Principles Theoretical Analysis

Sinthika, S., Waghmare, Umesh V., Thapa, Ranjit

Journal:

Year:

2017

Language:

english

File:

PDF, 2.47 MB

english, 2017

18

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: Experiments and theory

Gupta, Satyendra Nath, Singh, Anjali, Pal, Koushik, Muthu, D Victor S, Shekhar, Chandra, ElGhazali, Moaz A, Naumov, Pavel, Medvedev, Sergey, Felser, Claudia, Waghmare, Umesh V., Sooda, A K

Journal:

Journal of Physics Condensed Matter

Year:

2018

Language:

english

File:

PDF, 1.96 MB

english, 2018

19

n-type cubic GeSe stabilized by entropy driven alloying of AgBiSe2 leads to ultralow thermal conductivity and promising thermoelectric performance

Roychowdhury, Subhajit, Ghosh, Tanmoy, Arora, Raagya, Waghmare, Umesh V, Biswas, Kanishka

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 1.60 MB

english, 2018

20

Machine learning constrained with dimensional analysis and scaling laws: Simple, transferable and interpretable models of materials from small datasets

Kumar, Narendra, Rajagopalan, Padmini, Pankajakshan, Praveen, Bhattacharyya, Arnab, Sanyal, Suchismita, Balachandran, Janakiraman, Waghmare, Umesh V.

Journal:

Chemistry of Materials

Year:

2018

Language:

english

File:

PDF, 5.94 MB

english, 2018

21

Microscopic Origin of Piezoelectricity in Lead-free halide Perovskite: Application in Nanogenerator Design

Pandey, Richa, S. B., Gangadhar, Grover, Shivani, Singh, Sachin Kumar, Kadam, Ankur, Ogale, Satishchandra, Waghmare, Umesh V., Rao, V. Ramgopal, Kabra, Dinesh

Journal:

ACS Energy Letters

Year:

2019

Language:

english

File:

PDF, 972 KB

english, 2019

22

BCN: A Graphene Analogue with Remarkable Adsorptive Properties

Kalyan Raidongia, Angshuman Nag, K. P. S. S. Hembram, Umesh V. Waghmare, Ranjan Datta, C. N. R. Rao

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 942 KB

english, 2010

23

ChemInform Abstract: Synthesis of 5-Arylidene-2,4-thiazolidinediones by Knoevenagel Condensation Catalyzed by Baker′s Yeast.

Umesh R. Pratap, Dhanaji V. Jawale, Rahul A. Waghmare, Dinesh L. Lingampalle, Ramrao A. Mane

Journal:

Year:

2011

File:

PDF, 29 KB

2011

24

ChemInform Abstract: Synthetic Approaches to Borocarbonitrides, BCxN (x = 1—2).

Nitesh Kumar, Kalyan Raidongia, Abhishek K. Mishra, Umesh V. Waghmare, A. Sundaresan, C. N. R. Rao

Journal:

Year:

2012

Language:

english

File:

PDF, 21 KB

english, 2012

25

Remarkable Uptake of CO2 and CH4 by Graphene-Like Borocarbonitrides, BxCyNz

Nitesh Kumar, K. S. Subrahmanyam, Piyush Chaturbedy, Dr. Kalyan Raidongia, Dr. Achutharao Govindaraj, Dr. Kailash P. S. S. Hembram, Dr. Abhishek K. Mishra, Prof. Umesh V. Waghmare, Prof. C. N. R. Rao

Journal:

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

26

Adsorption of water on TiN (1 0 0), (1 1 0) and (1 1 1) surfaces: A first-principles study

Suchismita Sanyal, Umesh V. Waghmare, James A. Ruud

Journal:

Applied Surface Science

Year:

2011

Language:

english

File:

PDF, 574 KB

english, 2011

27

Closed-cage clusters in the gaseous and condensed phases derived from sonochemically synthesized MoS2nanoflakes

D.M. David Jeba Singh, T. Pradeep, Joydeep Bhattacharjee, Umesh V. Waghmare

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 906 KB

english, 2007

28

Electrical and structural properties of zirconia thin films prepared by reactive magnetron sputtering

K.P.S.S. Hembram, Gargi Dutta, Umesh V. Waghmare, G. Mohan Rao

Journal:

Physica B: Condensed Matter

Year:

2007

Language:

english

File:

PDF, 819 KB

english, 2007

29

Dielectric response in Ce-doped ThO2

Gargi Dutta, Umesh V. Waghmare

Journal:

Physica B: Condensed Matter

Year:

2008

Language:

english

File:

PDF, 324 KB

english, 2008

30

Enhanced dielectric response in ZrO2 with Th substitution: A first-principles study

Gargi Dutta, Umesh V. Waghmare

Journal:

Solid State Communications

Year:

2008

Language:

english

File:

PDF, 384 KB

english, 2008

31

Multiferroic properties of nanocrystalline BaTiO3

R.V.K. Mangalam, Nirat Ray, Umesh V. Waghmare, A. Sundaresan, C.N.R. Rao

Journal:

Solid State Communications

Year:

2009

Language:

english

File:

PDF, 2.42 MB

english, 2009

32

Effects of Zr and Ti doping on the dielectric response of : A comparative first-principles study

Gargi Dutta, Srijan Kumar Saha, Umesh V. Waghmare

Journal:

Solid State Communications

Year:

2010

Language:

english

File:

PDF, 180 KB

english, 2010

33

Carbon Nanotubes with an Extended Line Defect

Mousumi Upadhyay Kahaly, Satinder P. Singh, Umesh V. Waghmare

Journal:

Year:

2008

Language:

english

File:

PDF, 510 KB

english, 2008

34

Synthesis, Structure, and Properties of Mesoporous B/C/N Microspheres

Kalyan Raidongia, K. P. S. S. Hembram, Umesh V. Waghmare, M. Eswaramoorthy, C. N. R. Rao

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2010

Language:

english

File:

PDF, 1.12 MB

english, 2010

35

Ab initiostudy of ferromagnetic La0¨5Ba0¨5CoO3

Umesh V. Waghmare

Journal:

Journal of Chemical Sciences

Year:

2003

Language:

english

File:

PDF, 379 KB

english, 2003

36

Reducibility ofCe1-xZrxO2: Origin of Enhanced Oxygen Storage Capacity

Gargi Dutta, Umesh V. Waghmare, Tinku Baidya, M. S. Hegde, K. R. Priolkar, P. R. Sarode

Journal:

Catalysis Letters

Year:

2006

Language:

english

File:

PDF, 436 KB

english, 2006

37

Effect of curvature on structures and vibrations of zigzag carbon nanotubes: A first-principles study

Mousumi Upadhyay Kahaly, Umesh V. Waghmare

Journal:

Bulletin of Materials Science

Year:

2008

Language:

english

File:

PDF, 717 KB

english, 2008

38

CO adsorption on ionic Pt, Pd and Cu sites in Ce1-xMxO2 − δ(M = Pt2+, Pd2+, Cu2+)

GARGI DUTTA, ASHA GUPTA, UMESH V WAGHMARE, M S HEGDE

Journal:

Journal of Chemical Sciences

Year:

2011

Language:

english

File:

PDF, 617 KB

english, 2011

39

Structure and magnetic properties of the Al1−xGaxFeO3 family of oxides: A combined experimental and theoretical study

Rana Saha, Ajmala Shireen, A.K. Bera, Sharmila N. Shirodkar, Y. Sundarayya, Nandakumar Kalarikkal, S.M. Yusuf, Umesh V. Waghmare, A. Sundaresan, C.N.R Rao

Journal:

Journal of Solid State Chemistry

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

40

First-principles study of static nanoscale friction between MoO3 and MoS2

Greg S. Smith, Normand A. Modine, Umesh V. Waghmare, Efthimios Kaxiras

Journal:

Scientific Modeling and Simulation SMNS

Year:

1998

Language:

english

File:

PDF, 116 KB

english, 1998

41

First-principles free energies and Ginzburg-Landau theory of domains and ferroelectric phase transitions in BaTiO_{3}

Kumar, Anil, Waghmare, Umesh

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 499 KB

english, 2010

42

Phase Transitions of AlFeO 3 and GaFeO 3 from the Chiral Orthorhombic ( Pna 2 1 ) Structure to the Rhombohedral ( R 3̅ c ) Structure

Saha, Rana, Shireen, Ajmala, Shirodkar, Sharmila N., Singh, Mukta Shashi, Waghmare, Umesh V., Sundaresan, A., Rao, C. N. R.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 3.48 MB

english, 2011

43

Correlations between nanoscale chemical and polar order in relaxor ferroelectrics and the lengthscale for polar nanoregions

Burton, Benjamin, Cockayne, Eric, Waghmare, Umesh

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 893 KB

english, 2005

44

First-principles accurate total energy surfaces for polar structural distortions of BaTiO_{3}, PbTiO_{3}, and SrTiO_{3}: Consequences for structural transition temperatures

Nishimatsu, Takeshi, Iwamoto, Masaya, Kawazoe, Yoshiyuki, Waghmare, Umesh

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 280 KB

english, 2010

45

Preparation and evaluation of antioxidant capacity of Jackfruit (Artocarpus heterophyllus Lam.) wine and its protective role against radiation induced DNA damage

Umesh B. Jagtap, Shailesh R. Waghmare, Vinayak H. Lokhande, Penna Suprasanna, Vishwas A. Bapat

Journal:

Industrial Crops and Products

Year:

2011

Language:

english

File:

PDF, 393 KB

english, 2011

46

Synthetic approaches to borocarbonitrides, BCxN (x=1–2)

Nitesh Kumar, Kalyan Raidongia, Abhishek K. Mishra, Umesh V. Waghmare, A. Sundaresan, C.N.R. Rao

Journal:

Journal of Solid State Chemistry

Year:

2011

Language:

english

File:

PDF, 1.64 MB

english, 2011

47

Effect of Cr and Mn ions on the structure and magnetic properties of GaFeO3: Role of the substitution site

Rana Saha, Ajmala Shireen, Sharmila N. Shirodkar, Umesh V. Waghmare, A. Sundaresan, C.N.R. Rao

Journal:

Journal of Solid State Chemistry

Year:

2011

Language:

english

File:

PDF, 822 KB

english, 2011

48

First-principles understanding of environmental embrittlement of the Ni/Ni3Al interface

Suchismita Sanyal, Umesh V. Waghmare, P.R. Subramanian, Michael F.X. Gigliotti

Journal:

Scripta Materialia

Year:

2010

Language:

english

File:

PDF, 412 KB

english, 2010

49

Dielectric and piezoelectric responses of nylon-7: A first-principles study

Sampson K. Adjokatse, Abhishek Kumar Mishra, Umesh V. Waghmare

Journal:

Year:

2012

Language:

english

File:

PDF, 832 KB

english, 2012

50

First-principles analysis of ZrN/ScN metal/semiconductor superlattices for thermoelectric energy conversion

Saha, Bivas, Sands, Timothy D., Waghmare, Umesh V.

Journal:

Journal of Applied Physics

Year:

2011

Language:

english

File:

PDF, 3.04 MB

english, 2011